4-N-(1-benzylindazol-5-yl)-2-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;4-[[5-chloro-2-(4-dimethylphosphoryl-2-methoxyanilino)pyrimidin-4-yl]amino]-3-methoxybenzoic acid;2-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)-4-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine

C69H65ClF9N14O7P3 — CID 160594665

About 4-N-(1-benzylindazol-5-yl)-2-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;4-[[5-chloro-2-(4-dimethylphosphoryl-2-methoxyanilino)pyrimidin-4-yl]amino]-3-methoxybenzoic acid;2-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)-4-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine

4-N-(1-benzylindazol-5-yl)-2-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;4-[[5-chloro-2-(4-dimethylphosphoryl-2-methoxyanilino)pyrimidin-4-yl]amino]-3-methoxybenzoic acid;2-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)-4-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine (PubChem CID 160594665) has the molecular formula C69H65ClF9N14O7P3 and a molecular weight of 1501.73 g/mol. Its IUPAC name is 4-N-(1-benzylindazol-5-yl)-2-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;4-[[5-chloro-2-(4-dimethylphosphoryl-2-methoxyanilino)pyrimidin-4-yl]amino]-3-methoxybenzoic acid;2-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)-4-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine.

Molecular Properties

• Compound Name: 4-N-(1-benzylindazol-5-yl)-2-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;4-[[5-chloro-2-(4-dimethylphosphoryl-2-methoxyanilino)pyrimidin-4-yl]amino]-3-methoxybenzoic acid;2-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)-4-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine
• PubChem CID: 160594665
• Molecular Formula: C69H65ClF9N14O7P3
• Molecular Weight: 1501.73 g/mol
• Exact Mass: 1500.39
• IUPAC Name: 4-N-(1-benzylindazol-5-yl)-2-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;4-[[5-chloro-2-(4-dimethylphosphoryl-2-methoxyanilino)pyrimidin-4-yl]amino]-3-methoxybenzoic acid;2-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)-4-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine
• SMILES: COc1cc(P(C)(C)=O)ccc1Nc1ncc(Cl)c(Nc2ccc(C(=O)O)cc2OC)n1.CP(C)(=O)c1ccc(Nc2ncc(C(F)(F)F)c(NCc3cccc(C(F)(F)F)c3)n2)cc1.CP(C)(=O)c1ccc(Nc2ncc(C(F)(F)F)c(Nc3ccc4c(cnn4Cc4ccccc4)c3)n2)cc1
• InChI: InChI=1S/C27H24F3N6OP.C21H22ClN4O5P.C21H19F6N4OP/c1-38(2,37)22-11-8-20(9-12-22)34-26-31-16-23(27(28,29)30)25(35-26)33-21-10-13-24-19(14-21)15-32-36(24)17-18-6-4-3-5-7-18;1-30-17-9-12(20(27)28)5-7-15(17)24-19-14(22)11-23-21(26-19)25-16-8-6-13(32(3,4)29)10-18(16)31-2;1-33(2,32)16-8-6-15(7-9-16)30-19-29-12-17(21(25,26)27)18(31-19)28-11-13-4-3-5-14(10-13)20(22,23)24/h3-16H,17H2,1-2H3,(H2,31,33,34,35);5-11H,1-4H3,(H,27,28)(H2,23,24,25,26);3-10,12H,11H2,1-2H3,(H2,28,29,30,31)
• InChIKey: RDLXLUDOCCQXHL-UHFFFAOYSA-N
• XLogP: 17.33
• TPSA: 274.31 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 20
• Rotatable Bonds: 21
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1501.73
LogP ≤ 5	17.33
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-N-(1-benzylindazol-5-yl)-2-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;4-[[5-chloro-2-(4-dimethylphosphoryl-2-methoxyanilino)pyrimidin-4-yl]amino]-3-methoxybenzoic acid;2-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)-4-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine?

The IUPAC name of 4-N-(1-benzylindazol-5-yl)-2-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;4-[[5-chloro-2-(4-dimethylphosphoryl-2-methoxyanilino)pyrimidin-4-yl]amino]-3-methoxybenzoic acid;2-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)-4-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine (CID 160594665) is 4-N-(1-benzylindazol-5-yl)-2-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;4-[[5-chloro-2-(4-dimethylphosphoryl-2-methoxyanilino)pyrimidin-4-yl]amino]-3-methoxybenzoic acid;2-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)-4-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine.

What is the SMILES notation for 4-N-(1-benzylindazol-5-yl)-2-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;4-[[5-chloro-2-(4-dimethylphosphoryl-2-methoxyanilino)pyrimidin-4-yl]amino]-3-methoxybenzoic acid;2-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)-4-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine?

The canonical SMILES for 4-N-(1-benzylindazol-5-yl)-2-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;4-[[5-chloro-2-(4-dimethylphosphoryl-2-methoxyanilino)pyrimidin-4-yl]amino]-3-methoxybenzoic acid;2-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)-4-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine is COc1cc(P(C)(C)=O)ccc1Nc1ncc(Cl)c(Nc2ccc(C(=O)O)cc2OC)n1.CP(C)(=O)c1ccc(Nc2ncc(C(F)(F)F)c(NCc3cccc(C(F)(F)F)c3)n2)cc1.CP(C)(=O)c1ccc(Nc2ncc(C(F)(F)F)c(Nc3ccc4c(cnn4Cc4ccccc4)c3)n2)cc1.

What is the InChIKey of 4-N-(1-benzylindazol-5-yl)-2-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;4-[[5-chloro-2-(4-dimethylphosphoryl-2-methoxyanilino)pyrimidin-4-yl]amino]-3-methoxybenzoic acid;2-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)-4-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine?

The InChIKey is RDLXLUDOCCQXHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24F3N6OP.C21H22ClN4O5P.C21H19F6N4OP/c1-38(2,37)22-11-8-20(9-12-22)34-26-31-16-23(27(28,29)30)25(35-26)33-21-10-13-24-19(14-21)15-32-36(24)17-18-6-4-3-5-7-18;1-30-17-9-12(20(27)28)5-7-15(17)24-19-14(22)11-23-21(26-19)25-16-8-6-13(32(3,4)29)10-18(16)31-2;1-33(2,32)16-8-6-15(7-9-16)30-19-29-12-17(21(25,26)27)18(31-19)28-11-13-4-3-5-14(10-13)20(22,23)24/h3-16H,17H2,1-2H3,(H2,31,33,34,35);5-11H,1-4H3,(H,27,28)(H2,23,24,25,26);3-10,12H,11H2,1-2H3,(H2,28,29,30,31).

What are the key properties of 4-N-(1-benzylindazol-5-yl)-2-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;4-[[5-chloro-2-(4-dimethylphosphoryl-2-methoxyanilino)pyrimidin-4-yl]amino]-3-methoxybenzoic acid;2-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)-4-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine?

4-N-(1-benzylindazol-5-yl)-2-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;4-[[5-chloro-2-(4-dimethylphosphoryl-2-methoxyanilino)pyrimidin-4-yl]amino]-3-methoxybenzoic acid;2-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)-4-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine has a molecular weight of 1501.73 g/mol, XLogP of 17.33, 21 rotatable bonds, 7 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 4-N-(1-benzylindazol-5-yl)-2-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;4-[[5-chloro-2-(4-dimethylphosphoryl-2-methoxyanilino)pyrimidin-4-yl]amino]-3-methoxybenzoic acid;2-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)-4-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 160594665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).