(5R)-5-[(7-acetyl-2-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-[(7-acetyl-2-chloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-[[7-acetyl-2-[(2,4-dimethoxyphenyl)methylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-5-methylnonan-2-one;(5R)-5-amino-5-methylnonan-2-one;tert-butyl 2,4-dichloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;1-(2,4-dichloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)ethanone;2,4-dichloro-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;(2,4-dimethoxyphenyl)methanamine;ethane;methane;oxolane;hydrochloride

C120H185Cl8N25O15 — CID 157313194

About (5R)-5-[(7-acetyl-2-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-[(7-acetyl-2-chloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-[[7-acetyl-2-[(2,4-dimethoxyphenyl)methylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-5-methylnonan-2-one;(5R)-5-amino-5-methylnonan-2-one;tert-butyl 2,4-dichloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;1-(2,4-dichloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)ethanone;2,4-dichloro-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;(2,4-dimethoxyphenyl)methanamine;ethane;methane;oxolane;hydrochloride

(5R)-5-[(7-acetyl-2-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-[(7-acetyl-2-chloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-[[7-acetyl-2-[(2,4-dimethoxyphenyl)methylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-5-methylnonan-2-one;(5R)-5-amino-5-methylnonan-2-one;tert-butyl 2,4-dichloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;1-(2,4-dichloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)ethanone;2,4-dichloro-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;(2,4-dimethoxyphenyl)methanamine;ethane;methane;oxolane;hydrochloride (PubChem CID 157313194) has the molecular formula C120H185Cl8N25O15 and a molecular weight of 2501.58 g/mol. Its IUPAC name is (5R)-5-[(7-acetyl-2-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-[(7-acetyl-2-chloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-[[7-acetyl-2-[(2,4-dimethoxyphenyl)methylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-5-methylnonan-2-one;(5R)-5-amino-5-methylnonan-2-one;tert-butyl 2,4-dichloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;1-(2,4-dichloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)ethanone;2,4-dichloro-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;(2,4-dimethoxyphenyl)methanamine;ethane;methane;oxolane;hydrochloride.

Molecular Properties

• Compound Name: (5R)-5-[(7-acetyl-2-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-[(7-acetyl-2-chloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-[[7-acetyl-2-[(2,4-dimethoxyphenyl)methylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-5-methylnonan-2-one;(5R)-5-amino-5-methylnonan-2-one;tert-butyl 2,4-dichloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;1-(2,4-dichloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)ethanone;2,4-dichloro-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;(2,4-dimethoxyphenyl)methanamine;ethane;methane;oxolane;hydrochloride
• PubChem CID: 157313194
• Molecular Formula: C120H185Cl8N25O15
• Molecular Weight: 2501.58 g/mol
• Exact Mass: 2496.20
• IUPAC Name: (5R)-5-[(7-acetyl-2-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-[(7-acetyl-2-chloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-[[7-acetyl-2-[(2,4-dimethoxyphenyl)methylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-5-methylnonan-2-one;(5R)-5-amino-5-methylnonan-2-one;tert-butyl 2,4-dichloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;1-(2,4-dichloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)ethanone;2,4-dichloro-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;(2,4-dimethoxyphenyl)methanamine;ethane;methane;oxolane;hydrochloride
• SMILES: C.C1CCOC1.CC.CC(=O)N1CCc2c(Cl)nc(Cl)nc2C1.CC(C)(C)OC(=O)N1CCc2c(Cl)nc(Cl)nc2C1.CCCC[C@@](C)(N)CCC(C)=O.CCCC[C@](C)(CCC(C)=O)Nc1nc(Cl)nc2c1CCN(C(C)=O)C2.CCCC[C@](C)(CCC(C)=O)Nc1nc(N)nc2c1CCN(C(C)=O)C2.CCCC[C@](C)(CCC(C)=O)Nc1nc(NCc2ccc(OC)cc2OC)nc2c1CCN(C(C)=O)C2.COc1ccc(CN)c(OC)c1.Cl.Clc1nc(Cl)c2c(n1)CNCC2
• InChI: InChI=1S/C28H41N5O4.C19H29ClN4O2.C19H31N5O2.C12H15Cl2N3O2.C10H21NO.C9H9Cl2N3O.C9H13NO2.C7H7Cl2N3.C4H8O.C2H6.CH4.ClH/c1-7-8-13-28(4,14-11-19(2)34)32-26-23-12-15-33(20(3)35)18-24(23)30-27(31-26)29-17-21-9-10-22(36-5)16-25(21)37-6;2*1-5-6-9-19(4,10-7-13(2)25)23-17-15-8-11-24(14(3)26)12-16(15)21-18(20)22-17;1-12(2,3)19-11(18)17-5-4-7-8(6-17)15-10(14)16-9(7)13;1-4-5-7-10(3,11)8-6-9(2)12;1-5(15)14-3-2-6-7(4-14)12-9(11)13-8(6)10;1-11-8-4-3-7(6-10)9(5-8)12-2;8-6-4-1-2-10-3-5(4)11-7(9)12-6;1-2-4-5-3-1;1-2;;/h9-10,16H,7-8,11-15,17-18H2,1-6H3,(H2,29,30,31,32);5-12H2,1-4H3,(H,21,22,23);5-12H2,1-4H3,(H3,20,21,22,23);4-6H2,1-3H3;4-8,11H2,1-3H3;2-4H2,1H3;3-5H,6,10H2,1-2H3;10H,1-3H2;1-4H2;1-2H3;1H4;1H/t28-;2*19-;;10-;;;;;;;/m111.1......./s1
• InChIKey: QNSVSGHBHJCLBX-LSRCJJDMSA-N
• XLogP: 23.70
• TPSA: 518.10 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 35
• Rotatable Bonds: 38
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2501.58
LogP ≤ 5	23.70
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	35

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(7-acetyl-2-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-[(7-acetyl-2-chloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-[[7-acetyl-2-[(2,4-dimethoxyphenyl)methylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-5-methylnonan-2-one;(5R)-5-amino-5-methylnonan-2-one;tert-butyl 2,4-dichloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;1-(2,4-dichloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)ethanone;2,4-dichloro-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;(2,4-dimethoxyphenyl)methanamine;ethane;methane;oxolane;hydrochloride?

The IUPAC name of (5R)-5-[(7-acetyl-2-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-[(7-acetyl-2-chloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-[[7-acetyl-2-[(2,4-dimethoxyphenyl)methylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-5-methylnonan-2-one;(5R)-5-amino-5-methylnonan-2-one;tert-butyl 2,4-dichloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;1-(2,4-dichloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)ethanone;2,4-dichloro-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;(2,4-dimethoxyphenyl)methanamine;ethane;methane;oxolane;hydrochloride (CID 157313194) is (5R)-5-[(7-acetyl-2-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-[(7-acetyl-2-chloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-[[7-acetyl-2-[(2,4-dimethoxyphenyl)methylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-5-methylnonan-2-one;(5R)-5-amino-5-methylnonan-2-one;tert-butyl 2,4-dichloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;1-(2,4-dichloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)ethanone;2,4-dichloro-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;(2,4-dimethoxyphenyl)methanamine;ethane;methane;oxolane;hydrochloride.

What is the SMILES notation for (5R)-5-[(7-acetyl-2-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-[(7-acetyl-2-chloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-[[7-acetyl-2-[(2,4-dimethoxyphenyl)methylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-5-methylnonan-2-one;(5R)-5-amino-5-methylnonan-2-one;tert-butyl 2,4-dichloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;1-(2,4-dichloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)ethanone;2,4-dichloro-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;(2,4-dimethoxyphenyl)methanamine;ethane;methane;oxolane;hydrochloride?

The canonical SMILES for (5R)-5-[(7-acetyl-2-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-[(7-acetyl-2-chloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-[[7-acetyl-2-[(2,4-dimethoxyphenyl)methylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-5-methylnonan-2-one;(5R)-5-amino-5-methylnonan-2-one;tert-butyl 2,4-dichloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;1-(2,4-dichloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)ethanone;2,4-dichloro-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;(2,4-dimethoxyphenyl)methanamine;ethane;methane;oxolane;hydrochloride is C.C1CCOC1.CC.CC(=O)N1CCc2c(Cl)nc(Cl)nc2C1.CC(C)(C)OC(=O)N1CCc2c(Cl)nc(Cl)nc2C1.CCCC[C@@](C)(N)CCC(C)=O.CCCC[C@](C)(CCC(C)=O)Nc1nc(Cl)nc2c1CCN(C(C)=O)C2.CCCC[C@](C)(CCC(C)=O)Nc1nc(N)nc2c1CCN(C(C)=O)C2.CCCC[C@](C)(CCC(C)=O)Nc1nc(NCc2ccc(OC)cc2OC)nc2c1CCN(C(C)=O)C2.COc1ccc(CN)c(OC)c1.Cl.Clc1nc(Cl)c2c(n1)CNCC2.

What is the InChIKey of (5R)-5-[(7-acetyl-2-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-[(7-acetyl-2-chloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-[[7-acetyl-2-[(2,4-dimethoxyphenyl)methylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-5-methylnonan-2-one;(5R)-5-amino-5-methylnonan-2-one;tert-butyl 2,4-dichloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;1-(2,4-dichloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)ethanone;2,4-dichloro-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;(2,4-dimethoxyphenyl)methanamine;ethane;methane;oxolane;hydrochloride?

The InChIKey is QNSVSGHBHJCLBX-LSRCJJDMSA-N. The full InChI is InChI=1S/C28H41N5O4.C19H29ClN4O2.C19H31N5O2.C12H15Cl2N3O2.C10H21NO.C9H9Cl2N3O.C9H13NO2.C7H7Cl2N3.C4H8O.C2H6.CH4.ClH/c1-7-8-13-28(4,14-11-19(2)34)32-26-23-12-15-33(20(3)35)18-24(23)30-27(31-26)29-17-21-9-10-22(36-5)16-25(21)37-6;2*1-5-6-9-19(4,10-7-13(2)25)23-17-15-8-11-24(14(3)26)12-16(15)21-18(20)22-17;1-12(2,3)19-11(18)17-5-4-7-8(6-17)15-10(14)16-9(7)13;1-4-5-7-10(3,11)8-6-9(2)12;1-5(15)14-3-2-6-7(4-14)12-9(11)13-8(6)10;1-11-8-4-3-7(6-10)9(5-8)12-2;8-6-4-1-2-10-3-5(4)11-7(9)12-6;1-2-4-5-3-1;1-2;;/h9-10,16H,7-8,11-15,17-18H2,1-6H3,(H2,29,30,31,32);5-12H2,1-4H3,(H,21,22,23);5-12H2,1-4H3,(H3,20,21,22,23);4-6H2,1-3H3;4-8,11H2,1-3H3;2-4H2,1H3;3-5H,6,10H2,1-2H3;10H,1-3H2;1-4H2;1-2H3;1H4;1H/t28-;2*19-;;10-;;;;;;;/m111.1......./s1.

What are the key properties of (5R)-5-[(7-acetyl-2-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-[(7-acetyl-2-chloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-[[7-acetyl-2-[(2,4-dimethoxyphenyl)methylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-5-methylnonan-2-one;(5R)-5-amino-5-methylnonan-2-one;tert-butyl 2,4-dichloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;1-(2,4-dichloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)ethanone;2,4-dichloro-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;(2,4-dimethoxyphenyl)methanamine;ethane;methane;oxolane;hydrochloride?

(5R)-5-[(7-acetyl-2-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-[(7-acetyl-2-chloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-[[7-acetyl-2-[(2,4-dimethoxyphenyl)methylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-5-methylnonan-2-one;(5R)-5-amino-5-methylnonan-2-one;tert-butyl 2,4-dichloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;1-(2,4-dichloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)ethanone;2,4-dichloro-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;(2,4-dimethoxyphenyl)methanamine;ethane;methane;oxolane;hydrochloride has a molecular weight of 2501.58 g/mol, XLogP of 23.70, 38 rotatable bonds, 8 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-5-[(7-acetyl-2-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-[(7-acetyl-2-chloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-[[7-acetyl-2-[(2,4-dimethoxyphenyl)methylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-5-methylnonan-2-one;(5R)-5-amino-5-methylnonan-2-one;tert-butyl 2,4-dichloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;1-(2,4-dichloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)ethanone;2,4-dichloro-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;(2,4-dimethoxyphenyl)methanamine;ethane;methane;oxolane;hydrochloride is sourced from PubChem (CID 157313194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).