4-(5,7-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidin-2-amine;4-(6,7-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidin-2-amine;4-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidin-2-amine;2-N-(4-dimethylphosphorylphenyl)-4-N-propan-2-yl-5-(trifluoromethyl)pyrimidine-2,4-diamine;N-(4-dimethylphosphorylphenyl)-4-pyrrolidin-1-yl-5-(trifluoromethyl)pyrimidin-2-amine

C100H104Cl4F15N20O7P5 — CID 160602563

About 4-(5,7-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidin-2-amine;4-(6,7-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidin-2-amine;4-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidin-2-amine;2-N-(4-dimethylphosphorylphenyl)-4-N-propan-2-yl-5-(trifluoromethyl)pyrimidine-2,4-diamine;N-(4-dimethylphosphorylphenyl)-4-pyrrolidin-1-yl-5-(trifluoromethyl)pyrimidin-2-amine

4-(5,7-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidin-2-amine;4-(6,7-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidin-2-amine;4-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidin-2-amine;2-N-(4-dimethylphosphorylphenyl)-4-N-propan-2-yl-5-(trifluoromethyl)pyrimidine-2,4-diamine;N-(4-dimethylphosphorylphenyl)-4-pyrrolidin-1-yl-5-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 160602563) has the molecular formula C100H104Cl4F15N20O7P5 and a molecular weight of 2279.72 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;4-(6,7-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidin-2-amine;4-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidin-2-amine;2-N-(4-dimethylphosphorylphenyl)-4-N-propan-2-yl-5-(trifluoromethyl)pyrimidine-2,4-diamine;N-(4-dimethylphosphorylphenyl)-4-pyrrolidin-1-yl-5-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

• Compound Name: 4-(5,7-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidin-2-amine;4-(6,7-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidin-2-amine;4-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidin-2-amine;2-N-(4-dimethylphosphorylphenyl)-4-N-propan-2-yl-5-(trifluoromethyl)pyrimidine-2,4-diamine;N-(4-dimethylphosphorylphenyl)-4-pyrrolidin-1-yl-5-(trifluoromethyl)pyrimidin-2-amine
• PubChem CID: 160602563
• Molecular Formula: C100H104Cl4F15N20O7P5
• Molecular Weight: 2279.72 g/mol
• Exact Mass: 2276.56
• IUPAC Name: 4-(5,7-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidin-2-amine;4-(6,7-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidin-2-amine;4-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidin-2-amine;2-N-(4-dimethylphosphorylphenyl)-4-N-propan-2-yl-5-(trifluoromethyl)pyrimidine-2,4-diamine;N-(4-dimethylphosphorylphenyl)-4-pyrrolidin-1-yl-5-(trifluoromethyl)pyrimidin-2-amine
• SMILES: CC(C)Nc1nc(Nc2ccc(P(C)(C)=O)cc2)ncc1C(F)(F)F.COc1cc2c(cc1OC)CN(c1nc(Nc3ccc(P(C)(C)=O)cc3)ncc1C(F)(F)F)C2.CP(C)(=O)c1ccc(Nc2ncc(C(F)(F)F)c(N3CCCC3)n2)cc1.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(N3CCc4cc(Cl)c(Cl)cc4C3)n2)cc1
• InChI: InChI=1S/C23H24F3N4O3P.2C22H20Cl2F3N4OP.C17H20F3N4OP.C16H20F3N4OP/c1-32-19-9-14-12-30(13-15(14)10-20(19)33-2)21-18(23(24,25)26)11-27-22(29-21)28-16-5-7-17(8-6-16)34(3,4)31;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;1-33(2,32)16-5-3-15(4-6-16)29-21-28-11-17(22(25,26)27)20(30-21)31-8-7-13-9-18(23)19(24)10-14(13)12-31;1-26(2,25)13-7-5-12(6-8-13)22-16-21-11-14(17(18,19)20)15(23-16)24-9-3-4-10-24;1-10(2)21-14-13(16(17,18)19)9-20-15(23-14)22-11-5-7-12(8-6-11)25(3,4)24/h5-11H,12-13H2,1-4H3,(H,27,28,29);2*3-6,9-11H,7-8,12H2,1-2H3,(H,28,29,30);5-8,11H,3-4,9-10H2,1-2H3,(H,21,22,23);5-10H,1-4H3,(H2,20,21,22,23)
• InChIKey: RELYXXFOPSVZLU-UHFFFAOYSA-N
• XLogP: 26.13
• TPSA: 317.85 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 27
• Rotatable Bonds: 23
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2279.72
LogP ≤ 5	26.13
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	27

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;4-(6,7-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidin-2-amine;4-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidin-2-amine;2-N-(4-dimethylphosphorylphenyl)-4-N-propan-2-yl-5-(trifluoromethyl)pyrimidine-2,4-diamine;N-(4-dimethylphosphorylphenyl)-4-pyrrolidin-1-yl-5-(trifluoromethyl)pyrimidin-2-amine?

The IUPAC name of 4-(5,7-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidin-2-amine;4-(6,7-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidin-2-amine;4-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidin-2-amine;2-N-(4-dimethylphosphorylphenyl)-4-N-propan-2-yl-5-(trifluoromethyl)pyrimidine-2,4-diamine;N-(4-dimethylphosphorylphenyl)-4-pyrrolidin-1-yl-5-(trifluoromethyl)pyrimidin-2-amine (CID 160602563) is 4-(5,7-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidin-2-amine;4-(6,7-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidin-2-amine;4-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidin-2-amine;2-N-(4-dimethylphosphorylphenyl)-4-N-propan-2-yl-5-(trifluoromethyl)pyrimidine-2,4-diamine;N-(4-dimethylphosphorylphenyl)-4-pyrrolidin-1-yl-5-(trifluoromethyl)pyrimidin-2-amine.

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;4-(6,7-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidin-2-amine;4-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidin-2-amine;2-N-(4-dimethylphosphorylphenyl)-4-N-propan-2-yl-5-(trifluoromethyl)pyrimidine-2,4-diamine;N-(4-dimethylphosphorylphenyl)-4-pyrrolidin-1-yl-5-(trifluoromethyl)pyrimidin-2-amine?

The canonical SMILES for 4-(5,7-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidin-2-amine;4-(6,7-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidin-2-amine;4-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidin-2-amine;2-N-(4-dimethylphosphorylphenyl)-4-N-propan-2-yl-5-(trifluoromethyl)pyrimidine-2,4-diamine;N-(4-dimethylphosphorylphenyl)-4-pyrrolidin-1-yl-5-(trifluoromethyl)pyrimidin-2-amine is CC(C)Nc1nc(Nc2ccc(P(C)(C)=O)cc2)ncc1C(F)(F)F.COc1cc2c(cc1OC)CN(c1nc(Nc3ccc(P(C)(C)=O)cc3)ncc1C(F)(F)F)C2.CP(C)(=O)c1ccc(Nc2ncc(C(F)(F)F)c(N3CCCC3)n2)cc1.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(N3CCc4cc(Cl)c(Cl)cc4C3)n2)cc1.

What is the InChIKey of 4-(5,7-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidin-2-amine;4-(6,7-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidin-2-amine;4-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidin-2-amine;2-N-(4-dimethylphosphorylphenyl)-4-N-propan-2-yl-5-(trifluoromethyl)pyrimidine-2,4-diamine;N-(4-dimethylphosphorylphenyl)-4-pyrrolidin-1-yl-5-(trifluoromethyl)pyrimidin-2-amine?

The InChIKey is RELYXXFOPSVZLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N4O3P.2C22H20Cl2F3N4OP.C17H20F3N4OP.C16H20F3N4OP/c1-32-19-9-14-12-30(13-15(14)10-20(19)33-2)21-18(23(24,25)26)11-27-22(29-21)28-16-5-7-17(8-6-16)34(3,4)31;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;1-33(2,32)16-5-3-15(4-6-16)29-21-28-11-17(22(25,26)27)20(30-21)31-8-7-13-9-18(23)19(24)10-14(13)12-31;1-26(2,25)13-7-5-12(6-8-13)22-16-21-11-14(17(18,19)20)15(23-16)24-9-3-4-10-24;1-10(2)21-14-13(16(17,18)19)9-20-15(23-14)22-11-5-7-12(8-6-11)25(3,4)24/h5-11H,12-13H2,1-4H3,(H,27,28,29);2*3-6,9-11H,7-8,12H2,1-2H3,(H,28,29,30);5-8,11H,3-4,9-10H2,1-2H3,(H,21,22,23);5-10H,1-4H3,(H2,20,21,22,23).

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;4-(6,7-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidin-2-amine;4-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidin-2-amine;2-N-(4-dimethylphosphorylphenyl)-4-N-propan-2-yl-5-(trifluoromethyl)pyrimidine-2,4-diamine;N-(4-dimethylphosphorylphenyl)-4-pyrrolidin-1-yl-5-(trifluoromethyl)pyrimidin-2-amine?

4-(5,7-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidin-2-amine;4-(6,7-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidin-2-amine;4-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidin-2-amine;2-N-(4-dimethylphosphorylphenyl)-4-N-propan-2-yl-5-(trifluoromethyl)pyrimidine-2,4-diamine;N-(4-dimethylphosphorylphenyl)-4-pyrrolidin-1-yl-5-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 2279.72 g/mol, XLogP of 26.13, 23 rotatable bonds, 6 hydrogen bond donors, and 27 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;4-(6,7-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidin-2-amine;4-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidin-2-amine;2-N-(4-dimethylphosphorylphenyl)-4-N-propan-2-yl-5-(trifluoromethyl)pyrimidine-2,4-diamine;N-(4-dimethylphosphorylphenyl)-4-pyrrolidin-1-yl-5-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 160602563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).