(5R)-5-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-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;(2,4-dimethoxyphenyl)methanamine;methane;2,4,7-trichloropyrido[3,2-d]pyrimidine;2,2,2-trifluoroacetaldehyde

C72H99Cl5F3N15O8 — CID 159781484

About (5R)-5-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-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;(2,4-dimethoxyphenyl)methanamine;methane;2,4,7-trichloropyrido[3,2-d]pyrimidine;2,2,2-trifluoroacetaldehyde

(5R)-5-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-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;(2,4-dimethoxyphenyl)methanamine;methane;2,4,7-trichloropyrido[3,2-d]pyrimidine;2,2,2-trifluoroacetaldehyde (PubChem CID 159781484) has the molecular formula C72H99Cl5F3N15O8 and a molecular weight of 1536.94 g/mol. Its IUPAC name is (5R)-5-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-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;(2,4-dimethoxyphenyl)methanamine;methane;2,4,7-trichloropyrido[3,2-d]pyrimidine;2,2,2-trifluoroacetaldehyde.

Molecular Properties

• Compound Name: (5R)-5-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-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;(2,4-dimethoxyphenyl)methanamine;methane;2,4,7-trichloropyrido[3,2-d]pyrimidine;2,2,2-trifluoroacetaldehyde
• PubChem CID: 159781484
• Molecular Formula: C72H99Cl5F3N15O8
• Molecular Weight: 1536.94 g/mol
• Exact Mass: 1533.62
• IUPAC Name: (5R)-5-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-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;(2,4-dimethoxyphenyl)methanamine;methane;2,4,7-trichloropyrido[3,2-d]pyrimidine;2,2,2-trifluoroacetaldehyde
• SMILES: C.CCCC[C@@](C)(N)CCC(C)=O.CCCC[C@](C)(CCC(C)=O)Nc1nc(N)nc2cc(Cl)cnc12.CCCC[C@](C)(CCC(C)=O)Nc1nc(NCc2ccc(OC)cc2OC)nc2cc(Cl)cnc12.COc1ccc(CN)c(OC)c1.Clc1cnc2c(Cl)nc(Cl)nc2c1.O=CC(F)(F)F
• InChI: InChI=1S/C26H34ClN5O3.C17H24ClN5O.C10H21NO.C9H13NO2.C7H2Cl3N3.C2HF3O.CH4/c1-6-7-11-26(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;1-4-5-7-17(3,8-6-11(2)24)23-15-14-13(21-16(19)22-15)9-12(18)10-20-14;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;8-3-1-4-5(11-2-3)6(9)13-7(10)12-4;3-2(4,5)1-6;/h8-9,13-14,16H,6-7,10-12,15H2,1-5H3,(H2,29,30,31,32);9-10H,4-8H2,1-3H3,(H3,19,21,22,23);4-8,11H2,1-3H3;3-5H,6,10H2,1-2H3;1-2H;1H;1H4/t26-;17-;10-;;;;/m111..../s1
• InChIKey: NHKKTTXTWQKEHU-ONAXMXRYSA-N
• XLogP: 17.82
• TPSA: 335.36 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 23
• Rotatable Bonds: 30
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1536.94
LogP ≤ 5	17.82
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-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;(2,4-dimethoxyphenyl)methanamine;methane;2,4,7-trichloropyrido[3,2-d]pyrimidine;2,2,2-trifluoroacetaldehyde?

The IUPAC name of (5R)-5-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-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;(2,4-dimethoxyphenyl)methanamine;methane;2,4,7-trichloropyrido[3,2-d]pyrimidine;2,2,2-trifluoroacetaldehyde (CID 159781484) is (5R)-5-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-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;(2,4-dimethoxyphenyl)methanamine;methane;2,4,7-trichloropyrido[3,2-d]pyrimidine;2,2,2-trifluoroacetaldehyde.

What is the SMILES notation for (5R)-5-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-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;(2,4-dimethoxyphenyl)methanamine;methane;2,4,7-trichloropyrido[3,2-d]pyrimidine;2,2,2-trifluoroacetaldehyde?

The canonical SMILES for (5R)-5-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-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;(2,4-dimethoxyphenyl)methanamine;methane;2,4,7-trichloropyrido[3,2-d]pyrimidine;2,2,2-trifluoroacetaldehyde is C.CCCC[C@@](C)(N)CCC(C)=O.CCCC[C@](C)(CCC(C)=O)Nc1nc(N)nc2cc(Cl)cnc12.CCCC[C@](C)(CCC(C)=O)Nc1nc(NCc2ccc(OC)cc2OC)nc2cc(Cl)cnc12.COc1ccc(CN)c(OC)c1.Clc1cnc2c(Cl)nc(Cl)nc2c1.O=CC(F)(F)F.

What is the InChIKey of (5R)-5-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-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;(2,4-dimethoxyphenyl)methanamine;methane;2,4,7-trichloropyrido[3,2-d]pyrimidine;2,2,2-trifluoroacetaldehyde?

The InChIKey is NHKKTTXTWQKEHU-ONAXMXRYSA-N. The full InChI is InChI=1S/C26H34ClN5O3.C17H24ClN5O.C10H21NO.C9H13NO2.C7H2Cl3N3.C2HF3O.CH4/c1-6-7-11-26(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;1-4-5-7-17(3,8-6-11(2)24)23-15-14-13(21-16(19)22-15)9-12(18)10-20-14;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;8-3-1-4-5(11-2-3)6(9)13-7(10)12-4;3-2(4,5)1-6;/h8-9,13-14,16H,6-7,10-12,15H2,1-5H3,(H2,29,30,31,32);9-10H,4-8H2,1-3H3,(H3,19,21,22,23);4-8,11H2,1-3H3;3-5H,6,10H2,1-2H3;1-2H;1H;1H4/t26-;17-;10-;;;;/m111..../s1.

What are the key properties of (5R)-5-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-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;(2,4-dimethoxyphenyl)methanamine;methane;2,4,7-trichloropyrido[3,2-d]pyrimidine;2,2,2-trifluoroacetaldehyde?

(5R)-5-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-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;(2,4-dimethoxyphenyl)methanamine;methane;2,4,7-trichloropyrido[3,2-d]pyrimidine;2,2,2-trifluoroacetaldehyde has a molecular weight of 1536.94 g/mol, XLogP of 17.82, 30 rotatable bonds, 6 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-5-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-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;(2,4-dimethoxyphenyl)methanamine;methane;2,4,7-trichloropyrido[3,2-d]pyrimidine;2,2,2-trifluoroacetaldehyde is sourced from PubChem (CID 159781484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).