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Pyridopyrimidines

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

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3

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
4

Trametinib, TRC

CAS: 871700-17-3 Molecular Formula: C26 H23 F I N5 O4 Molecular Weight (g/mol): 615.39 Synonym: Acetamide, N-[3-[3-cyclopropyl-5-[(2-fluoro-4-iodophenyl)amino]-3,4,6,7-tetrahydro-6,8-dimethyl-2,4,7-trioxopyrido[4,3-d]pyrimidin-1(2H)-yl]phenyl]-,N-[3-[3-Cyclopropyl-5-[(2-fluoro-4-iodophenyl)amino]-3,4,6,7-tetrahydro-6,8-dimethyl-2,4,7-trioxopyrido[4,3-d]pyrimidin-1(2H)-yl]phenyl]acetamide,G 02442104,GSK 1120212,GSK 212,JTP 74057,Mekinist,N-[3-[3-Cyclopropyl-5-(2-fluoro-4-iodo-phenylamino)-6,8-dimethyl-2,4,7-trioxo-3,4,6,7-tetrahydro-2H-pyrido[4,3-d]pyrimidin-1-yl]phenyl]acetamide,Trametinib,Trametinib related,GSK 1120212A IUPAC Name: N-[3-[3-cyclopropyl-5-(2-fluoro-4-iodoanilino)-6,8-dimethyl-2,4,7-trioxopyrido[4,3-d]pyrimidin-1-yl]phenyl]acetamide SMILES: CN1C(=O)C(=C2N(C(=O)N(C3CC3)C(=O)C2=C1Nc4ccc(I)cc4F)c5cccc(NC(=O)C)c5)C

CAS 871700-17-3
Molecular Weight (g/mol) 615.39
SMILES CN1C(=O)C(=C2N(C(=O)N(C3CC3)C(=O)C2=C1Nc4ccc(I)cc4F)c5cccc(NC(=O)C)c5)C
Synonym Acetamide, N-[3-[3-cyclopropyl-5-[(2-fluoro-4-iodophenyl)amino]-3,4,6,7-tetrahydro-6,8-dimethyl-2,4,7-trioxopyrido[4,3-d]pyrimidin-1(2H)-yl]phenyl]-,N-[3-[3-Cyclopropyl-5-[(2-fluoro-4-iodophenyl)amino]-3,4,6,7-tetrahydro-6,8-dimethyl-2,4,7-trioxopyrido[4,3-d]pyrimidin-1(2H)-yl]phenyl]acetamide,G 02442104,GSK 1120212,GSK 212,JTP 74057,Mekinist,N-[3-[3-Cyclopropyl-5-(2-fluoro-4-iodo-phenylamino)-6,8-dimethyl-2,4,7-trioxo-3,4,6,7-tetrahydro-2H-pyrido[4,3-d]pyrimidin-1-yl]phenyl]acetamide,Trametinib,Trametinib related,GSK 1120212A
IUPAC Name N-[3-[3-cyclopropyl-5-(2-fluoro-4-iodoanilino)-6,8-dimethyl-2,4,7-trioxopyrido[4,3-d]pyrimidin-1-yl]phenyl]acetamide
Molecular Formula C26 H23 F I N5 O4
6

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
7

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
8

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

Paliperidone Palmitate, TRC

CAS: 199739-10-1 Molecular Formula: C39 H57 F N4 O4 Molecular Weight (g/mol): 664.89 Synonym: Hexadecanoic 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,9-Hydroxyrisperidone palmitate,Invega Sustenna,Paliperidone palmitate,RO 92670,Hexadecanoic 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,[2-Methyl-4-oxo-3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl] hexadecanoate 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] hexadecanoate SMILES: CCCCCCCCCCCCCCCC(=O)OC1CCCN2C(=O)C(=C(C)N=C12)CCN3CCC(CC3)c4noc5cc(F)ccc45

CAS 199739-10-1
Molecular Weight (g/mol) 664.89
SMILES CCCCCCCCCCCCCCCC(=O)OC1CCCN2C(=O)C(=C(C)N=C12)CCN3CCC(CC3)c4noc5cc(F)ccc45
Synonym Hexadecanoic 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,9-Hydroxyrisperidone palmitate,Invega Sustenna,Paliperidone palmitate,RO 92670,Hexadecanoic 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,[2-Methyl-4-oxo-3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl] hexadecanoate
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] hexadecanoate
Molecular Formula C39 H57 F N4 O4
10

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
11

2,4-Dichloropyrido[3,2-d]pyrimidine, 95%, Thermo Scientific™

CAS: 39551-54-7 Molecular Formula: C7H3Cl2N3 Molecular Weight (g/mol): 200.03 InChI Key: UVVFNZJVLRJSMW-UHFFFAOYSA-N Synonym: 2,4-dichloropyrido 3,2-d pyrimidine,pyrido 3,2-d pyrimidine, 2,4-dichloro,pubchem15434,2,4-dichloro-pyrido 3,2-d pyrimidine,pyrido 3,2-d pyrimidine,2,4-dichloro PubChem CID: 11958053 IUPAC Name: 2,4-dichloropyrido[3,2-d]pyrimidine SMILES: C1=CC2=C(C(=NC(=N2)Cl)Cl)N=C1

PubChem CID 11958053
CAS 39551-54-7
Molecular Weight (g/mol) 200.03
SMILES C1=CC2=C(C(=NC(=N2)Cl)Cl)N=C1
Synonym 2,4-dichloropyrido 3,2-d pyrimidine,pyrido 3,2-d pyrimidine, 2,4-dichloro,pubchem15434,2,4-dichloro-pyrido 3,2-d pyrimidine,pyrido 3,2-d pyrimidine,2,4-dichloro
IUPAC Name 2,4-dichloropyrido[3,2-d]pyrimidine
InChI Key UVVFNZJVLRJSMW-UHFFFAOYSA-N
Molecular Formula C7H3Cl2N3