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

C67H95Cl2N15O8 — CID 158486046

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

(2R)-2-amino-2-methylhexanoic acid;(5R)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;2,4-dichloropyrido[3,2-d]pyrimidine;(2,4-dimethoxyphenyl)methanamine;(5R)-5-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-5-methylnonan-2-one;methane (PubChem CID 158486046) has the molecular formula C67H95Cl2N15O8 and a molecular weight of 1309.50 g/mol. Its IUPAC name is (2R)-2-amino-2-methylhexanoic acid;(5R)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;2,4-dichloropyrido[3,2-d]pyrimidine;(2,4-dimethoxyphenyl)methanamine;(5R)-5-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-5-methylnonan-2-one;methane.

Molecular Properties

• Compound Name: (2R)-2-amino-2-methylhexanoic acid;(5R)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;2,4-dichloropyrido[3,2-d]pyrimidine;(2,4-dimethoxyphenyl)methanamine;(5R)-5-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-5-methylnonan-2-one;methane
• PubChem CID: 158486046
• Molecular Formula: C67H95Cl2N15O8
• Molecular Weight: 1309.50 g/mol
• Exact Mass: 1307.69
• IUPAC Name: (2R)-2-amino-2-methylhexanoic acid;(5R)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;2,4-dichloropyrido[3,2-d]pyrimidine;(2,4-dimethoxyphenyl)methanamine;(5R)-5-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-5-methylnonan-2-one;methane
• SMILES: C.CCCC[C@@](C)(N)C(=O)O.CCCC[C@](C)(CCC(C)=O)Nc1nc(N)nc2cccnc12.CCCC[C@](C)(CCC(C)=O)Nc1nc(NCc2ccc(OC)cc2OC)nc2cccnc12.COc1ccc(CN)c(OC)c1.Clc1nc(Cl)c2ncccc2n1
• InChI: InChI=1S/C26H35N5O3.C17H25N5O.C9H13NO2.C7H3Cl2N3.C7H15NO2.CH4/c1-6-7-13-26(3,14-12-18(2)32)31-24-23-21(9-8-15-27-23)29-25(30-24)28-17-19-10-11-20(33-4)16-22(19)34-5;1-4-5-9-17(3,10-8-12(2)23)22-15-14-13(7-6-11-19-14)20-16(18)21-15;1-11-8-4-3-7(6-10)9(5-8)12-2;8-6-5-4(2-1-3-10-5)11-7(9)12-6;1-3-4-5-7(2,8)6(9)10;/h8-11,15-16H,6-7,12-14,17H2,1-5H3,(H2,28,29,30,31);6-7,11H,4-5,8-10H2,1-3H3,(H3,18,20,21,22);3-5H,6,10H2,1-2H3;1-3H;3-5,8H2,1-2H3,(H,9,10);1H4/t26-;17-;;;7-;/m11..1./s1
• InChIKey: HICNHRMPPAWMJO-MEKZCTJTSA-N
• XLogP: 13.83
• TPSA: 338.52 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 22
• Rotatable Bonds: 28
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1309.50
LogP ≤ 5	13.83
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

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

The IUPAC name of (2R)-2-amino-2-methylhexanoic acid;(5R)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;2,4-dichloropyrido[3,2-d]pyrimidine;(2,4-dimethoxyphenyl)methanamine;(5R)-5-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-5-methylnonan-2-one;methane (CID 158486046) is (2R)-2-amino-2-methylhexanoic acid;(5R)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;2,4-dichloropyrido[3,2-d]pyrimidine;(2,4-dimethoxyphenyl)methanamine;(5R)-5-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-5-methylnonan-2-one;methane.

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

The canonical SMILES for (2R)-2-amino-2-methylhexanoic acid;(5R)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;2,4-dichloropyrido[3,2-d]pyrimidine;(2,4-dimethoxyphenyl)methanamine;(5R)-5-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-5-methylnonan-2-one;methane is C.CCCC[C@@](C)(N)C(=O)O.CCCC[C@](C)(CCC(C)=O)Nc1nc(N)nc2cccnc12.CCCC[C@](C)(CCC(C)=O)Nc1nc(NCc2ccc(OC)cc2OC)nc2cccnc12.COc1ccc(CN)c(OC)c1.Clc1nc(Cl)c2ncccc2n1.

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

The InChIKey is HICNHRMPPAWMJO-MEKZCTJTSA-N. The full InChI is InChI=1S/C26H35N5O3.C17H25N5O.C9H13NO2.C7H3Cl2N3.C7H15NO2.CH4/c1-6-7-13-26(3,14-12-18(2)32)31-24-23-21(9-8-15-27-23)29-25(30-24)28-17-19-10-11-20(33-4)16-22(19)34-5;1-4-5-9-17(3,10-8-12(2)23)22-15-14-13(7-6-11-19-14)20-16(18)21-15;1-11-8-4-3-7(6-10)9(5-8)12-2;8-6-5-4(2-1-3-10-5)11-7(9)12-6;1-3-4-5-7(2,8)6(9)10;/h8-11,15-16H,6-7,12-14,17H2,1-5H3,(H2,28,29,30,31);6-7,11H,4-5,8-10H2,1-3H3,(H3,18,20,21,22);3-5H,6,10H2,1-2H3;1-3H;3-5,8H2,1-2H3,(H,9,10);1H4/t26-;17-;;;7-;/m11..1./s1.

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

(2R)-2-amino-2-methylhexanoic acid;(5R)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;2,4-dichloropyrido[3,2-d]pyrimidine;(2,4-dimethoxyphenyl)methanamine;(5R)-5-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-5-methylnonan-2-one;methane has a molecular weight of 1309.50 g/mol, XLogP of 13.83, 28 rotatable bonds, 7 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-amino-2-methylhexanoic acid;(5R)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;2,4-dichloropyrido[3,2-d]pyrimidine;(2,4-dimethoxyphenyl)methanamine;(5R)-5-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-5-methylnonan-2-one;methane is sourced from PubChem (CID 158486046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).