4-(5,7-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidin-2-amine;2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrido[2,3-d]pyrimidine-2,4-diamine;2-N-(4-dimethylphosphorylphenyl)-4-N-[4-methyl-3-(trifluoromethyl)phenyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine;2-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine

C88H84Cl2F15N17O7P4S — CID 160727209

About 4-(5,7-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidin-2-amine;2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrido[2,3-d]pyrimidine-2,4-diamine;2-N-(4-dimethylphosphorylphenyl)-4-N-[4-methyl-3-(trifluoromethyl)phenyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine;2-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine

4-(5,7-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidin-2-amine;2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrido[2,3-d]pyrimidine-2,4-diamine;2-N-(4-dimethylphosphorylphenyl)-4-N-[4-methyl-3-(trifluoromethyl)phenyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine;2-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine (PubChem CID 160727209) has the molecular formula C88H84Cl2F15N17O7P4S and a molecular weight of 2003.59 g/mol. Its IUPAC name is 4-(5,7-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidin-2-amine;2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrido[2,3-d]pyrimidine-2,4-diamine;2-N-(4-dimethylphosphorylphenyl)-4-N-[4-methyl-3-(trifluoromethyl)phenyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine;2-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine.

Molecular Properties

• Compound Name: 4-(5,7-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidin-2-amine;2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrido[2,3-d]pyrimidine-2,4-diamine;2-N-(4-dimethylphosphorylphenyl)-4-N-[4-methyl-3-(trifluoromethyl)phenyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine;2-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
• PubChem CID: 160727209
• Molecular Formula: C88H84Cl2F15N17O7P4S
• Molecular Weight: 2003.59 g/mol
• Exact Mass: 2001.45
• IUPAC Name: 4-(5,7-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidin-2-amine;2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrido[2,3-d]pyrimidine-2,4-diamine;2-N-(4-dimethylphosphorylphenyl)-4-N-[4-methyl-3-(trifluoromethyl)phenyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine;2-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
• SMILES: COc1cc(P(C)(C)=O)ccc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2cccnc2n1.CP(C)(=O)c1ccc(Nc2ncc(C(F)(F)F)c(N3CCc4c(Cl)cc(Cl)cc4C3)n2)cc1.CP(C)(=O)c1ccc(Nc2ncc(C(F)(F)F)c(Nc3cccc(C(F)(F)F)c3)n2)cc1.Cc1ccc(Nc2nc(Nc3ccc(P(C)(C)=O)cc3)ncc2C(F)(F)F)cc1C(F)(F)F
• InChI: InChI=1S/C25H28N5O4PS.C22H20Cl2F3N4OP.C21H19F6N4OP.C20H17F6N4OP/c1-16(2)36(32,33)22-11-7-6-10-20(22)27-24-18-9-8-14-26-23(18)29-25(30-24)28-19-13-12-17(35(4,5)31)15-21(19)34-3;1-33(2,32)16-5-3-15(4-6-16)29-21-28-11-18(22(25,26)27)20(30-21)31-8-7-17-13(12-31)9-14(23)10-19(17)24;1-12-4-5-14(10-16(12)20(22,23)24)29-18-17(21(25,26)27)11-28-19(31-18)30-13-6-8-15(9-7-13)33(2,3)32;1-32(2,31)15-8-6-13(7-9-15)29-18-27-11-16(20(24,25)26)17(30-18)28-14-5-3-4-12(10-14)19(21,22)23/h6-16H,1-5H3,(H2,26,27,28,29,30);3-6,9-11H,7-8,12H2,1-2H3,(H,28,29,30);4-11H,1-3H3,(H2,28,29,30,31);3-11H,1-2H3,(H2,27,28,29,30)
• InChIKey: RTWFAZNKVOMRDQ-UHFFFAOYSA-N
• XLogP: 24.11
• TPSA: 315.11 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 24
• Rotatable Bonds: 22
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2003.59
LogP ≤ 5	24.11
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-(5,7-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidin-2-amine;2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrido[2,3-d]pyrimidine-2,4-diamine;2-N-(4-dimethylphosphorylphenyl)-4-N-[4-methyl-3-(trifluoromethyl)phenyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine;2-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?

The IUPAC name of 4-(5,7-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidin-2-amine;2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrido[2,3-d]pyrimidine-2,4-diamine;2-N-(4-dimethylphosphorylphenyl)-4-N-[4-methyl-3-(trifluoromethyl)phenyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine;2-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine (CID 160727209) is 4-(5,7-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidin-2-amine;2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrido[2,3-d]pyrimidine-2,4-diamine;2-N-(4-dimethylphosphorylphenyl)-4-N-[4-methyl-3-(trifluoromethyl)phenyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine;2-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine.

What is the SMILES notation for 4-(5,7-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidin-2-amine;2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrido[2,3-d]pyrimidine-2,4-diamine;2-N-(4-dimethylphosphorylphenyl)-4-N-[4-methyl-3-(trifluoromethyl)phenyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine;2-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?

The canonical SMILES for 4-(5,7-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidin-2-amine;2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrido[2,3-d]pyrimidine-2,4-diamine;2-N-(4-dimethylphosphorylphenyl)-4-N-[4-methyl-3-(trifluoromethyl)phenyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine;2-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine is COc1cc(P(C)(C)=O)ccc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2cccnc2n1.CP(C)(=O)c1ccc(Nc2ncc(C(F)(F)F)c(N3CCc4c(Cl)cc(Cl)cc4C3)n2)cc1.CP(C)(=O)c1ccc(Nc2ncc(C(F)(F)F)c(Nc3cccc(C(F)(F)F)c3)n2)cc1.Cc1ccc(Nc2nc(Nc3ccc(P(C)(C)=O)cc3)ncc2C(F)(F)F)cc1C(F)(F)F.

What is the InChIKey of 4-(5,7-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidin-2-amine;2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrido[2,3-d]pyrimidine-2,4-diamine;2-N-(4-dimethylphosphorylphenyl)-4-N-[4-methyl-3-(trifluoromethyl)phenyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine;2-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?

The InChIKey is RTWFAZNKVOMRDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N5O4PS.C22H20Cl2F3N4OP.C21H19F6N4OP.C20H17F6N4OP/c1-16(2)36(32,33)22-11-7-6-10-20(22)27-24-18-9-8-14-26-23(18)29-25(30-24)28-19-13-12-17(35(4,5)31)15-21(19)34-3;1-33(2,32)16-5-3-15(4-6-16)29-21-28-11-18(22(25,26)27)20(30-21)31-8-7-17-13(12-31)9-14(23)10-19(17)24;1-12-4-5-14(10-16(12)20(22,23)24)29-18-17(21(25,26)27)11-28-19(31-18)30-13-6-8-15(9-7-13)33(2,3)32;1-32(2,31)15-8-6-13(7-9-15)29-18-27-11-16(20(24,25)26)17(30-18)28-14-5-3-4-12(10-14)19(21,22)23/h6-16H,1-5H3,(H2,26,27,28,29,30);3-6,9-11H,7-8,12H2,1-2H3,(H,28,29,30);4-11H,1-3H3,(H2,28,29,30,31);3-11H,1-2H3,(H2,27,28,29,30).

What are the key properties of 4-(5,7-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidin-2-amine;2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrido[2,3-d]pyrimidine-2,4-diamine;2-N-(4-dimethylphosphorylphenyl)-4-N-[4-methyl-3-(trifluoromethyl)phenyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine;2-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?

4-(5,7-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidin-2-amine;2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrido[2,3-d]pyrimidine-2,4-diamine;2-N-(4-dimethylphosphorylphenyl)-4-N-[4-methyl-3-(trifluoromethyl)phenyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine;2-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine has a molecular weight of 2003.59 g/mol, XLogP of 24.11, 22 rotatable bonds, 7 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(5,7-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidin-2-amine;2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrido[2,3-d]pyrimidine-2,4-diamine;2-N-(4-dimethylphosphorylphenyl)-4-N-[4-methyl-3-(trifluoromethyl)phenyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine;2-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 160727209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).