(5R)-5-amino-5-methylnonan-2-one;(5R)-5-[(2-aminopyrido[3,4-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-[(2-chloropyrido[3,4-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;2,4-dichloropyrido[3,4-d]pyrimidine;(2,4-dimethoxyphenyl)methanamine;(5R)-5-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,4-d]pyrimidin-4-yl]amino]-5-methylnonan-2-one;ethane;hydrochloride

C88H127Cl4N19O8 — CID 159037754

About (5R)-5-amino-5-methylnonan-2-one;(5R)-5-[(2-aminopyrido[3,4-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-[(2-chloropyrido[3,4-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;2,4-dichloropyrido[3,4-d]pyrimidine;(2,4-dimethoxyphenyl)methanamine;(5R)-5-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,4-d]pyrimidin-4-yl]amino]-5-methylnonan-2-one;ethane;hydrochloride

(5R)-5-amino-5-methylnonan-2-one;(5R)-5-[(2-aminopyrido[3,4-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-[(2-chloropyrido[3,4-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;2,4-dichloropyrido[3,4-d]pyrimidine;(2,4-dimethoxyphenyl)methanamine;(5R)-5-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,4-d]pyrimidin-4-yl]amino]-5-methylnonan-2-one;ethane;hydrochloride (PubChem CID 159037754) has the molecular formula C88H127Cl4N19O8 and a molecular weight of 1720.92 g/mol. Its IUPAC name is (5R)-5-amino-5-methylnonan-2-one;(5R)-5-[(2-aminopyrido[3,4-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-[(2-chloropyrido[3,4-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;2,4-dichloropyrido[3,4-d]pyrimidine;(2,4-dimethoxyphenyl)methanamine;(5R)-5-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,4-d]pyrimidin-4-yl]amino]-5-methylnonan-2-one;ethane;hydrochloride.

Molecular Properties

• Compound Name: (5R)-5-amino-5-methylnonan-2-one;(5R)-5-[(2-aminopyrido[3,4-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-[(2-chloropyrido[3,4-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;2,4-dichloropyrido[3,4-d]pyrimidine;(2,4-dimethoxyphenyl)methanamine;(5R)-5-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,4-d]pyrimidin-4-yl]amino]-5-methylnonan-2-one;ethane;hydrochloride
• PubChem CID: 159037754
• Molecular Formula: C88H127Cl4N19O8
• Molecular Weight: 1720.92 g/mol
• Exact Mass: 1717.89
• IUPAC Name: (5R)-5-amino-5-methylnonan-2-one;(5R)-5-[(2-aminopyrido[3,4-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-[(2-chloropyrido[3,4-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;2,4-dichloropyrido[3,4-d]pyrimidine;(2,4-dimethoxyphenyl)methanamine;(5R)-5-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,4-d]pyrimidin-4-yl]amino]-5-methylnonan-2-one;ethane;hydrochloride
• SMILES: CC.CCCC[C@@](C)(N)CCC(C)=O.CCCC[C@](C)(CCC(C)=O)Nc1nc(Cl)nc2cnccc12.CCCC[C@](C)(CCC(C)=O)Nc1nc(N)nc2cnccc12.CCCC[C@](C)(CCC(C)=O)Nc1nc(NCc2ccc(OC)cc2OC)nc2cnccc12.COc1ccc(CN)c(OC)c1.Cl.Clc1nc(Cl)c2ccncc2n1
• InChI: InChI=1S/C26H35N5O3.C17H23ClN4O.C17H25N5O.C10H21NO.C9H13NO2.C7H3Cl2N3.C2H6.ClH/c1-6-7-12-26(3,13-10-18(2)32)31-24-21-11-14-27-17-22(21)29-25(30-24)28-16-19-8-9-20(33-4)15-23(19)34-5;2*1-4-5-8-17(3,9-6-12(2)23)22-15-13-7-10-19-11-14(13)20-16(18)21-15;1-4-5-7-10(3,11)8-6-9(2)12;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;/h8-9,11,14-15,17H,6-7,10,12-13,16H2,1-5H3,(H2,28,29,30,31);7,10-11H,4-6,8-9H2,1-3H3,(H,20,21,22);7,10-11H,4-6,8-9H2,1-3H3,(H3,18,20,21,22);4-8,11H2,1-3H3;3-5H,6,10H2,1-2H3;1-3H;1-2H3;1H/t26-;2*17-;10-;;;;/m1111..../s1
• InChIKey: YBZSJDNXDDLHJX-XJNJXWABSA-N
• XLogP: 20.33
• TPSA: 386.06 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 27
• Rotatable Bonds: 38
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1720.92
LogP ≤ 5	20.33
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of (5R)-5-amino-5-methylnonan-2-one;(5R)-5-[(2-aminopyrido[3,4-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-[(2-chloropyrido[3,4-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;2,4-dichloropyrido[3,4-d]pyrimidine;(2,4-dimethoxyphenyl)methanamine;(5R)-5-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,4-d]pyrimidin-4-yl]amino]-5-methylnonan-2-one;ethane;hydrochloride?

The IUPAC name of (5R)-5-amino-5-methylnonan-2-one;(5R)-5-[(2-aminopyrido[3,4-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-[(2-chloropyrido[3,4-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;2,4-dichloropyrido[3,4-d]pyrimidine;(2,4-dimethoxyphenyl)methanamine;(5R)-5-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,4-d]pyrimidin-4-yl]amino]-5-methylnonan-2-one;ethane;hydrochloride (CID 159037754) is (5R)-5-amino-5-methylnonan-2-one;(5R)-5-[(2-aminopyrido[3,4-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-[(2-chloropyrido[3,4-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;2,4-dichloropyrido[3,4-d]pyrimidine;(2,4-dimethoxyphenyl)methanamine;(5R)-5-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,4-d]pyrimidin-4-yl]amino]-5-methylnonan-2-one;ethane;hydrochloride.

What is the SMILES notation for (5R)-5-amino-5-methylnonan-2-one;(5R)-5-[(2-aminopyrido[3,4-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-[(2-chloropyrido[3,4-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;2,4-dichloropyrido[3,4-d]pyrimidine;(2,4-dimethoxyphenyl)methanamine;(5R)-5-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,4-d]pyrimidin-4-yl]amino]-5-methylnonan-2-one;ethane;hydrochloride?

The canonical SMILES for (5R)-5-amino-5-methylnonan-2-one;(5R)-5-[(2-aminopyrido[3,4-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-[(2-chloropyrido[3,4-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;2,4-dichloropyrido[3,4-d]pyrimidine;(2,4-dimethoxyphenyl)methanamine;(5R)-5-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,4-d]pyrimidin-4-yl]amino]-5-methylnonan-2-one;ethane;hydrochloride is CC.CCCC[C@@](C)(N)CCC(C)=O.CCCC[C@](C)(CCC(C)=O)Nc1nc(Cl)nc2cnccc12.CCCC[C@](C)(CCC(C)=O)Nc1nc(N)nc2cnccc12.CCCC[C@](C)(CCC(C)=O)Nc1nc(NCc2ccc(OC)cc2OC)nc2cnccc12.COc1ccc(CN)c(OC)c1.Cl.Clc1nc(Cl)c2ccncc2n1.

What is the InChIKey of (5R)-5-amino-5-methylnonan-2-one;(5R)-5-[(2-aminopyrido[3,4-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-[(2-chloropyrido[3,4-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;2,4-dichloropyrido[3,4-d]pyrimidine;(2,4-dimethoxyphenyl)methanamine;(5R)-5-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,4-d]pyrimidin-4-yl]amino]-5-methylnonan-2-one;ethane;hydrochloride?

The InChIKey is YBZSJDNXDDLHJX-XJNJXWABSA-N. The full InChI is InChI=1S/C26H35N5O3.C17H23ClN4O.C17H25N5O.C10H21NO.C9H13NO2.C7H3Cl2N3.C2H6.ClH/c1-6-7-12-26(3,13-10-18(2)32)31-24-21-11-14-27-17-22(21)29-25(30-24)28-16-19-8-9-20(33-4)15-23(19)34-5;2*1-4-5-8-17(3,9-6-12(2)23)22-15-13-7-10-19-11-14(13)20-16(18)21-15;1-4-5-7-10(3,11)8-6-9(2)12;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;/h8-9,11,14-15,17H,6-7,10,12-13,16H2,1-5H3,(H2,28,29,30,31);7,10-11H,4-6,8-9H2,1-3H3,(H,20,21,22);7,10-11H,4-6,8-9H2,1-3H3,(H3,18,20,21,22);4-8,11H2,1-3H3;3-5H,6,10H2,1-2H3;1-3H;1-2H3;1H/t26-;2*17-;10-;;;;/m1111..../s1.

What are the key properties of (5R)-5-amino-5-methylnonan-2-one;(5R)-5-[(2-aminopyrido[3,4-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-[(2-chloropyrido[3,4-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;2,4-dichloropyrido[3,4-d]pyrimidine;(2,4-dimethoxyphenyl)methanamine;(5R)-5-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,4-d]pyrimidin-4-yl]amino]-5-methylnonan-2-one;ethane;hydrochloride?

(5R)-5-amino-5-methylnonan-2-one;(5R)-5-[(2-aminopyrido[3,4-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-[(2-chloropyrido[3,4-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;2,4-dichloropyrido[3,4-d]pyrimidine;(2,4-dimethoxyphenyl)methanamine;(5R)-5-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,4-d]pyrimidin-4-yl]amino]-5-methylnonan-2-one;ethane;hydrochloride has a molecular weight of 1720.92 g/mol, XLogP of 20.33, 38 rotatable bonds, 7 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-5-amino-5-methylnonan-2-one;(5R)-5-[(2-aminopyrido[3,4-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-[(2-chloropyrido[3,4-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;2,4-dichloropyrido[3,4-d]pyrimidine;(2,4-dimethoxyphenyl)methanamine;(5R)-5-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,4-d]pyrimidin-4-yl]amino]-5-methylnonan-2-one;ethane;hydrochloride is sourced from PubChem (CID 159037754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).