(5R)-5-[(2-amino-7-ethylpyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-[[7-chloro-2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-5-methylnonan-2-one;(5R)-5-[[2-[(2,4-dimethoxyphenyl)methylamino]-7-ethylpyrido[3,2-d]pyrimidin-4-yl]amino]-5-methylnonan-2-one

C73H102ClN15O7 — CID 158062263

About (5R)-5-[(2-amino-7-ethylpyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-[[7-chloro-2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-5-methylnonan-2-one;(5R)-5-[[2-[(2,4-dimethoxyphenyl)methylamino]-7-ethylpyrido[3,2-d]pyrimidin-4-yl]amino]-5-methylnonan-2-one

(5R)-5-[(2-amino-7-ethylpyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-[[7-chloro-2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-5-methylnonan-2-one;(5R)-5-[[2-[(2,4-dimethoxyphenyl)methylamino]-7-ethylpyrido[3,2-d]pyrimidin-4-yl]amino]-5-methylnonan-2-one (PubChem CID 158062263) has the molecular formula C73H102ClN15O7 and a molecular weight of 1337.17 g/mol. Its IUPAC name is (5R)-5-[(2-amino-7-ethylpyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-[[7-chloro-2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-5-methylnonan-2-one;(5R)-5-[[2-[(2,4-dimethoxyphenyl)methylamino]-7-ethylpyrido[3,2-d]pyrimidin-4-yl]amino]-5-methylnonan-2-one.

Molecular Properties

• Compound Name: (5R)-5-[(2-amino-7-ethylpyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-[[7-chloro-2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-5-methylnonan-2-one;(5R)-5-[[2-[(2,4-dimethoxyphenyl)methylamino]-7-ethylpyrido[3,2-d]pyrimidin-4-yl]amino]-5-methylnonan-2-one
• PubChem CID: 158062263
• Molecular Formula: C73H102ClN15O7
• Molecular Weight: 1337.17 g/mol
• Exact Mass: 1335.78
• IUPAC Name: (5R)-5-[(2-amino-7-ethylpyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-[[7-chloro-2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-5-methylnonan-2-one;(5R)-5-[[2-[(2,4-dimethoxyphenyl)methylamino]-7-ethylpyrido[3,2-d]pyrimidin-4-yl]amino]-5-methylnonan-2-one
• SMILES: CCCC[C@](C)(CCC(C)=O)Nc1nc(N)nc2cc(CC)cnc12.CCCC[C@](C)(CCC(C)=O)Nc1nc(NCc2ccc(OC)cc2OC)nc2cc(CC)cnc12.CCCC[C@](C)(CCC(C)=O)Nc1nc(NCc2ccc(OC)cc2OC)nc2cc(Cl)cnc12
• InChI: InChI=1S/C28H39N5O3.C26H34ClN5O3.C19H29N5O/c1-7-9-13-28(4,14-12-19(3)34)33-26-25-23(15-20(8-2)17-29-25)31-27(32-26)30-18-21-10-11-22(35-5)16-24(21)36-6;1-6-7-11-26(3,12-10-17(2)33)32-24-23-21(13-19(27)16-28-23)30-25(31-24)29-15-18-8-9-20(34-4)14-22(18)35-5;1-5-7-9-19(4,10-8-13(3)25)24-17-16-15(22-18(20)23-17)11-14(6-2)12-21-16/h10-11,15-17H,7-9,12-14,18H2,1-6H3,(H2,30,31,32,33);8-9,13-14,16H,6-7,10-12,15H2,1-5H3,(H2,29,30,31,32);11-12H,5-10H2,1-4H3,(H3,20,22,23,24)/t28-;26-;19-/m111/s1
• InChIKey: FKUGEOGHSYSUJZ-XJNMZFIJSA-N
• XLogP: 15.88
• TPSA: 290.31 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 22
• Rotatable Bonds: 36
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1337.17
LogP ≤ 5	15.88
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(2-amino-7-ethylpyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-[[7-chloro-2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-5-methylnonan-2-one;(5R)-5-[[2-[(2,4-dimethoxyphenyl)methylamino]-7-ethylpyrido[3,2-d]pyrimidin-4-yl]amino]-5-methylnonan-2-one?

The IUPAC name of (5R)-5-[(2-amino-7-ethylpyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-[[7-chloro-2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-5-methylnonan-2-one;(5R)-5-[[2-[(2,4-dimethoxyphenyl)methylamino]-7-ethylpyrido[3,2-d]pyrimidin-4-yl]amino]-5-methylnonan-2-one (CID 158062263) is (5R)-5-[(2-amino-7-ethylpyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-[[7-chloro-2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-5-methylnonan-2-one;(5R)-5-[[2-[(2,4-dimethoxyphenyl)methylamino]-7-ethylpyrido[3,2-d]pyrimidin-4-yl]amino]-5-methylnonan-2-one.

What is the SMILES notation for (5R)-5-[(2-amino-7-ethylpyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-[[7-chloro-2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-5-methylnonan-2-one;(5R)-5-[[2-[(2,4-dimethoxyphenyl)methylamino]-7-ethylpyrido[3,2-d]pyrimidin-4-yl]amino]-5-methylnonan-2-one?

The canonical SMILES for (5R)-5-[(2-amino-7-ethylpyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-[[7-chloro-2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-5-methylnonan-2-one;(5R)-5-[[2-[(2,4-dimethoxyphenyl)methylamino]-7-ethylpyrido[3,2-d]pyrimidin-4-yl]amino]-5-methylnonan-2-one is CCCC[C@](C)(CCC(C)=O)Nc1nc(N)nc2cc(CC)cnc12.CCCC[C@](C)(CCC(C)=O)Nc1nc(NCc2ccc(OC)cc2OC)nc2cc(CC)cnc12.CCCC[C@](C)(CCC(C)=O)Nc1nc(NCc2ccc(OC)cc2OC)nc2cc(Cl)cnc12.

What is the InChIKey of (5R)-5-[(2-amino-7-ethylpyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-[[7-chloro-2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-5-methylnonan-2-one;(5R)-5-[[2-[(2,4-dimethoxyphenyl)methylamino]-7-ethylpyrido[3,2-d]pyrimidin-4-yl]amino]-5-methylnonan-2-one?

The InChIKey is FKUGEOGHSYSUJZ-XJNMZFIJSA-N. The full InChI is InChI=1S/C28H39N5O3.C26H34ClN5O3.C19H29N5O/c1-7-9-13-28(4,14-12-19(3)34)33-26-25-23(15-20(8-2)17-29-25)31-27(32-26)30-18-21-10-11-22(35-5)16-24(21)36-6;1-6-7-11-26(3,12-10-17(2)33)32-24-23-21(13-19(27)16-28-23)30-25(31-24)29-15-18-8-9-20(34-4)14-22(18)35-5;1-5-7-9-19(4,10-8-13(3)25)24-17-16-15(22-18(20)23-17)11-14(6-2)12-21-16/h10-11,15-17H,7-9,12-14,18H2,1-6H3,(H2,30,31,32,33);8-9,13-14,16H,6-7,10-12,15H2,1-5H3,(H2,29,30,31,32);11-12H,5-10H2,1-4H3,(H3,20,22,23,24)/t28-;26-;19-/m111/s1.

What are the key properties of (5R)-5-[(2-amino-7-ethylpyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-[[7-chloro-2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-5-methylnonan-2-one;(5R)-5-[[2-[(2,4-dimethoxyphenyl)methylamino]-7-ethylpyrido[3,2-d]pyrimidin-4-yl]amino]-5-methylnonan-2-one?

(5R)-5-[(2-amino-7-ethylpyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-[[7-chloro-2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-5-methylnonan-2-one;(5R)-5-[[2-[(2,4-dimethoxyphenyl)methylamino]-7-ethylpyrido[3,2-d]pyrimidin-4-yl]amino]-5-methylnonan-2-one has a molecular weight of 1337.17 g/mol, XLogP of 15.88, 36 rotatable bonds, 6 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-5-[(2-amino-7-ethylpyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-[[7-chloro-2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-5-methylnonan-2-one;(5R)-5-[[2-[(2,4-dimethoxyphenyl)methylamino]-7-ethylpyrido[3,2-d]pyrimidin-4-yl]amino]-5-methylnonan-2-one is sourced from PubChem (CID 158062263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).