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Pyridopyrimidines

Organic heterocyclic compounds that consist of a pyridine ring fused with a pyrimidine ring.

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1

3-(2-Chloroethyl)-9-hydroxy-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one, TRC

CAS: 260273-82-3 Molecular Formula: C11H11ClN2O2 Molecular Weight (g/mol): 238.67 Synonym: 3-(2-Chloroethyl)-2-methyl-9-hydroxy-4H-pyrido[1,2-a]pyrimidin-4-one,9-Hydroxy-3-(2-chloroethyl)-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one IUPAC Name: 3-(2-chloroethyl)-9-hydroxy-2-methylpyrido[1,2-a]pyrimidin-4-one SMILES: CC1=C(CCCl)C(=O)N2C=CC=C(O)C2=N1

CAS 260273-82-3
Molecular Weight (g/mol) 238.67
SMILES CC1=C(CCCl)C(=O)N2C=CC=C(O)C2=N1
Synonym 3-(2-Chloroethyl)-2-methyl-9-hydroxy-4H-pyrido[1,2-a]pyrimidin-4-one,9-Hydroxy-3-(2-chloroethyl)-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
IUPAC Name 3-(2-chloroethyl)-9-hydroxy-2-methylpyrido[1,2-a]pyrimidin-4-one
Molecular Formula C11H11ClN2O2
2

3-(2-Chloroethyl)-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one, TRC

CAS: 63234-80-0 Molecular Formula: C11 H15 Cl N2 O Molecular Weight (g/mol): 226.7 Synonym: Risperidone EP Impurity L IUPAC Name: 3-(2-chloroethyl)-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one SMILES: CC1=C(CCCl)C(=O)N2CCCCC2=N1

CAS 63234-80-0
Molecular Weight (g/mol) 226.7
SMILES CC1=C(CCCl)C(=O)N2CCCCC2=N1
Synonym Risperidone EP Impurity L
IUPAC Name 3-(2-chloroethyl)-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
Molecular Formula C11 H15 Cl N2 O
3

3-(2-Chloroethyl)-6,7,8,9-tetrahydro-9-hydroxy-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one, TRC

CAS: 130049-82-0 Molecular Formula: C11 H15 Cl N2 O2 Molecular Weight (g/mol): 242.7 Synonym: 4H-Pyrido[1,2-a]pyrimidin-4-one, 3-(2-chloroethyl)-6,7,8,9-tetrahydro-9-hydroxy-2-methyl-,3-(2-Chloroethyl)-6,7,8,9-tetrahydro-9-hydroxy-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one,3-(2-Chloroethyl)-9-hydroxy-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one,3-(2-Chloroethyl)-9-hydroxy-6,7,8,9-tetrahydro-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one,9-Hydroxy-3-(2-chloroethyl)-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one IUPAC Name: 3-(2-chloroethyl)-9-hydroxy-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one SMILES: CC1=C(CCCl)C(=O)N2CCCC(O)C2=N1

CAS 130049-82-0
Molecular Weight (g/mol) 242.7
SMILES CC1=C(CCCl)C(=O)N2CCCC(O)C2=N1
Synonym 4H-Pyrido[1,2-a]pyrimidin-4-one, 3-(2-chloroethyl)-6,7,8,9-tetrahydro-9-hydroxy-2-methyl-,3-(2-Chloroethyl)-6,7,8,9-tetrahydro-9-hydroxy-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one,3-(2-Chloroethyl)-9-hydroxy-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one,3-(2-Chloroethyl)-9-hydroxy-6,7,8,9-tetrahydro-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one,9-Hydroxy-3-(2-chloroethyl)-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one
IUPAC Name 3-(2-chloroethyl)-9-hydroxy-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
Molecular Formula C11 H15 Cl N2 O2
4

3,4-Dihydro-2H-pyrido[1,2-A]pyrimidin-2-one, TRC

CAS: 5439-14-5 Molecular Formula: C8H8N2O Molecular Weight (g/mol): 148.16 SMILES: O=C1CCN2C=CC=CC2=N1

CAS 5439-14-5
Molecular Weight (g/mol) 148.16
SMILES O=C1CCN2C=CC=CC2=N1
Molecular Formula C8H8N2O
5

Octadecanoic Acid 3-[2-[4-(6-Fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]ethyl]-6,7,8,9-tetrahydro-2-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-9-yl Ester, TRC

CAS: 1172995-13-9 Molecular Formula: C41 H61 F N4 O4 Molecular Weight (g/mol): 692.95 Synonym: Octadecanoic acid, 3-[2-[4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]ethyl]-6,7,8,9-tetrahydro-2-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-9-yl ester,3-[2-[4-(6-Fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]ethyl]-6,7,8,9-tetrahydro-2-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-9-yl octadecanoate,3-[2-[4-(6-Fluoro-1,2-benzisoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-4-oxo-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-9-yl Octadecanoate IUPAC Name: [3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl] octadecanoate SMILES: CCCCCCCCCCCCCCCCCC(=O)OC1CCCN2C(=O)C(=C(C)N=C12)CCN3CCC(CC3)c4noc5cc(F)ccc45

CAS 1172995-13-9
Molecular Weight (g/mol) 692.95
SMILES CCCCCCCCCCCCCCCCCC(=O)OC1CCCN2C(=O)C(=C(C)N=C12)CCN3CCC(CC3)c4noc5cc(F)ccc45
Synonym Octadecanoic acid, 3-[2-[4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]ethyl]-6,7,8,9-tetrahydro-2-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-9-yl ester,3-[2-[4-(6-Fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]ethyl]-6,7,8,9-tetrahydro-2-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-9-yl octadecanoate,3-[2-[4-(6-Fluoro-1,2-benzisoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-4-oxo-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-9-yl Octadecanoate
IUPAC Name [3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl] octadecanoate
Molecular Formula C41 H61 F N4 O4
6

2-Chloro-8-cyclopentyl-5-methyl-8H-pyrido[2,3-d]pyrimidin-7-one, TRC

CAS: 1013916-37-4 Molecular Formula: C13H14ClN3O Molecular Weight (g/mol): 263.72 Synonym: 2-Chloro-8-cyclopentyl-5-methylpyrido[2,3-d]pyrimidin-7(8H)-one,2-Chloro-8-cyclopentyl-5-methyl-8H-pyrido[2,3-d]pyrimidin-7-one IUPAC Name: 2-chloro-8-cyclopentyl-5-methylpyrido[2,3-d]pyrimidin-7-one SMILES: CC1=CC(=O)N(C2CCCC2)c3nc(Cl)ncc13

CAS 1013916-37-4
Molecular Weight (g/mol) 263.72
SMILES CC1=CC(=O)N(C2CCCC2)c3nc(Cl)ncc13
Synonym 2-Chloro-8-cyclopentyl-5-methylpyrido[2,3-d]pyrimidin-7(8H)-one,2-Chloro-8-cyclopentyl-5-methyl-8H-pyrido[2,3-d]pyrimidin-7-one
IUPAC Name 2-chloro-8-cyclopentyl-5-methylpyrido[2,3-d]pyrimidin-7-one
Molecular Formula C13H14ClN3O
7

3-Cyclopropyl-1-(2-fluoro-4-iodophenyl)-5-hydroxy-6,8-dimethylpyrido[2,3-d]pyrimidine-2,4,7-trione, TRC

CAS: 871700-24-2 Molecular Formula: C18 H15 F I N3 O4 Molecular Weight (g/mol): 483.23 Synonym: Pyrido[2,3-d]pyrimidine-2,4,7(1H,3H,8H)-trione, 3-cyclopropyl-1-(2-fluoro-4-iodophenyl)-5-hydroxy-6,8-dimethyl-,3-Cyclopropyl-1-(2-fluoro-4-iodophenyl)-5-hydroxy-6,8-dimethylpyrido[2,3-d]pyrimidine-2,4,7(1H,3H,8H)-trione,3-Cyclopropyl-1-(2-fluoro-4-iodophenyl)-5-hydroxy-6,8-dimethyl-1H,8H-pyrido[2,3-d]pyrimidine-2,4,7-trione,GSK 1375981A IUPAC Name: 3-cyclopropyl-1-(2-fluoro-4-iodophenyl)-5-hydroxy-6,8-dimethylpyrido[2,3-d]pyrimidine-2,4,7-trione SMILES: CN1C(=O)C(=C(O)C2=C1N(C(=O)N(C3CC3)C2=O)c4ccc(I)cc4F)C

CAS 871700-24-2
Molecular Weight (g/mol) 483.23
SMILES CN1C(=O)C(=C(O)C2=C1N(C(=O)N(C3CC3)C2=O)c4ccc(I)cc4F)C
Synonym Pyrido[2,3-d]pyrimidine-2,4,7(1H,3H,8H)-trione, 3-cyclopropyl-1-(2-fluoro-4-iodophenyl)-5-hydroxy-6,8-dimethyl-,3-Cyclopropyl-1-(2-fluoro-4-iodophenyl)-5-hydroxy-6,8-dimethylpyrido[2,3-d]pyrimidine-2,4,7(1H,3H,8H)-trione,3-Cyclopropyl-1-(2-fluoro-4-iodophenyl)-5-hydroxy-6,8-dimethyl-1H,8H-pyrido[2,3-d]pyrimidine-2,4,7-trione,GSK 1375981A
IUPAC Name 3-cyclopropyl-1-(2-fluoro-4-iodophenyl)-5-hydroxy-6,8-dimethylpyrido[2,3-d]pyrimidine-2,4,7-trione
Molecular Formula C18 H15 F I N3 O4
9

Risperidone, 99%

CAS: 106266-06-2 Molecular Formula: C23H27FN4O2 Molecular Weight (g/mol): 410.49 InChI Key: RAPZEAPATHNIPO-UHFFFAOYSA-N Synonym: risperidone,risperidal,risperdal,risperdal consta,rispolept,risperin,rispolin,sequinan,risperidona,risperidonum PubChem CID: 5073 ChEBI: CHEBI:8871 IUPAC Name: 3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one SMILES: CC1=C(C(=O)N2CCCCC2=N1)CCN3CCC(CC3)C4=NOC5=C4C=CC(=C5)F

PubChem CID 5073
CAS 106266-06-2
Molecular Weight (g/mol) 410.49
ChEBI CHEBI:8871
SMILES CC1=C(C(=O)N2CCCCC2=N1)CCN3CCC(CC3)C4=NOC5=C4C=CC(=C5)F
Synonym risperidone,risperidal,risperdal,risperdal consta,rispolept,risperin,rispolin,sequinan,risperidona,risperidonum
IUPAC Name 3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
InChI Key RAPZEAPATHNIPO-UHFFFAOYSA-N
Molecular Formula C23H27FN4O2
12

9-Hydroxy-pyrido[1,2-a]pyrimidin-4-one (~90%), TRC

CAS: 123458-49-1 Molecular Formula: C8H6N2O2 Molecular Weight (g/mol): 162.15 IUPAC Name: 9-hydroxypyrido[1,2-a]pyrimidin-4-one SMILES: OC1=CC=CN2C(=O)C=CN=C12

CAS 123458-49-1
Molecular Weight (g/mol) 162.15
SMILES OC1=CC=CN2C(=O)C=CN=C12
IUPAC Name 9-hydroxypyrido[1,2-a]pyrimidin-4-one
Molecular Formula C8H6N2O2
13

5-Fluoro Risperidone, TRC

CAS: 1199589-74-6 Molecular Formula: C23 H27 F N4 O2 Molecular Weight (g/mol): 410.48 Synonym: 3-[2-[4-(5-Fluoro-1,2-benzisoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one,Risperidone Imp. D (EP) IUPAC Name: 3-[2-[4-(5-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one SMILES: CC1=C(CCN2CCC(CC2)c3noc4ccc(F)cc34)C(=O)N5CCCCC5=N1

CAS 1199589-74-6
Molecular Weight (g/mol) 410.48
SMILES CC1=C(CCN2CCC(CC2)c3noc4ccc(F)cc34)C(=O)N5CCCCC5=N1
Synonym 3-[2-[4-(5-Fluoro-1,2-benzisoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one,Risperidone Imp. D (EP)
IUPAC Name 3-[2-[4-(5-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
Molecular Formula C23 H27 F N4 O2
14

Risperidone E-Oxime, TRC

CAS: 691007-09-7 Molecular Formula: C23 H28 F2 N4 O2 Molecular Weight (g/mol): 430.49 Synonym: 3-[2-[4-[(E)-(2,4-Difluorophenyl)(hydroxyimino)methyl]piperidin-1-yl]ethyl]-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one,Risperidone Imp. A (EP) IUPAC Name: 3-[2-[4-[(E)-C-(2,4-difluorophenyl)-N-hydroxycarbonimidoyl]piperidin-1-yl]ethyl]-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one SMILES: CC1=C(CCN2CCC(CC2)\C(=N/O)\c3ccc(F)cc3F)C(=O)N4CCCCC4=N1

CAS 691007-09-7
Molecular Weight (g/mol) 430.49
SMILES CC1=C(CCN2CCC(CC2)\C(=N/O)\c3ccc(F)cc3F)C(=O)N4CCCCC4=N1
Synonym 3-[2-[4-[(E)-(2,4-Difluorophenyl)(hydroxyimino)methyl]piperidin-1-yl]ethyl]-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one,Risperidone Imp. A (EP)
IUPAC Name 3-[2-[4-[(E)-C-(2,4-difluorophenyl)-N-hydroxycarbonimidoyl]piperidin-1-yl]ethyl]-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
Molecular Formula C23 H28 F2 N4 O2
15

9-Keto Risperidone (90%), TRC

CAS: 1189516-65-1 Molecular Formula: C23 H25 F N4 O3 Molecular Weight (g/mol): 424.468 Synonym: 4H-Pyrido[1,2-a]pyrimidine-4,9(6H)-dione, 3-[2-[4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]ethyl]-7,8-dihydro-2-methyl-,3-[2-[4-(6-Fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]ethyl]-7,8-dihydro-2-methyl-4H-pyrido[1,2-a]pyrimidine-4,9(6H)-dione,Keto paliper,3-[2-[4-(6-Fluoro-1,2-benzisoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-7,8-dihydro-4H-pyrido[1,2-a]pyrimidine-4,9(6H)-dione IUPAC Name: 3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-4,9-dione SMILES: CC1=C(CCN2CCC(CC2)c3noc4cc(F)ccc34)C(=O)N5CCCC(=O)C5=N1

CAS 1189516-65-1
Molecular Weight (g/mol) 424.468
SMILES CC1=C(CCN2CCC(CC2)c3noc4cc(F)ccc34)C(=O)N5CCCC(=O)C5=N1
Synonym 4H-Pyrido[1,2-a]pyrimidine-4,9(6H)-dione, 3-[2-[4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]ethyl]-7,8-dihydro-2-methyl-,3-[2-[4-(6-Fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]ethyl]-7,8-dihydro-2-methyl-4H-pyrido[1,2-a]pyrimidine-4,9(6H)-dione,Keto paliper,3-[2-[4-(6-Fluoro-1,2-benzisoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-7,8-dihydro-4H-pyrido[1,2-a]pyrimidine-4,9(6H)-dione
IUPAC Name 3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-4,9-dione
Molecular Formula C23 H25 F N4 O3