4-chloro-N-(4-dimethylphosphorylphenyl)-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-N-[(3,4-dimethoxyphenyl)methyl]-2-N-(4-dimethylphosphorylphenyl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine;N-(4-dimethylphosphorylphenyl)-4-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-5-(trifluoromethyl)pyrimidin-2-amine;N-(4-dimethylphosphorylphenyl)-4-(1-methylindol-6-yl)-5-(trifluoromethyl)pyrimidin-2-amine

C125H122Cl5F18N23O9P6 — CID 161242047

About 4-chloro-N-(4-dimethylphosphorylphenyl)-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-N-[(3,4-dimethoxyphenyl)methyl]-2-N-(4-dimethylphosphorylphenyl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine;N-(4-dimethylphosphorylphenyl)-4-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-5-(trifluoromethyl)pyrimidin-2-amine;N-(4-dimethylphosphorylphenyl)-4-(1-methylindol-6-yl)-5-(trifluoromethyl)pyrimidin-2-amine

4-chloro-N-(4-dimethylphosphorylphenyl)-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-N-[(3,4-dimethoxyphenyl)methyl]-2-N-(4-dimethylphosphorylphenyl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine;N-(4-dimethylphosphorylphenyl)-4-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-5-(trifluoromethyl)pyrimidin-2-amine;N-(4-dimethylphosphorylphenyl)-4-(1-methylindol-6-yl)-5-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 161242047) has the molecular formula C125H122Cl5F18N23O9P6 and a molecular weight of 2795.58 g/mol. Its IUPAC name is 4-chloro-N-(4-dimethylphosphorylphenyl)-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-N-[(3,4-dimethoxyphenyl)methyl]-2-N-(4-dimethylphosphorylphenyl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine;N-(4-dimethylphosphorylphenyl)-4-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-5-(trifluoromethyl)pyrimidin-2-amine;N-(4-dimethylphosphorylphenyl)-4-(1-methylindol-6-yl)-5-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

• Compound Name: 4-chloro-N-(4-dimethylphosphorylphenyl)-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-N-[(3,4-dimethoxyphenyl)methyl]-2-N-(4-dimethylphosphorylphenyl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine;N-(4-dimethylphosphorylphenyl)-4-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-5-(trifluoromethyl)pyrimidin-2-amine;N-(4-dimethylphosphorylphenyl)-4-(1-methylindol-6-yl)-5-(trifluoromethyl)pyrimidin-2-amine
• PubChem CID: 161242047
• Molecular Formula: C125H122Cl5F18N23O9P6
• Molecular Weight: 2795.58 g/mol
• Exact Mass: 2791.64
• IUPAC Name: 4-chloro-N-(4-dimethylphosphorylphenyl)-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-N-[(3,4-dimethoxyphenyl)methyl]-2-N-(4-dimethylphosphorylphenyl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine;N-(4-dimethylphosphorylphenyl)-4-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-5-(trifluoromethyl)pyrimidin-2-amine;N-(4-dimethylphosphorylphenyl)-4-(1-methylindol-6-yl)-5-(trifluoromethyl)pyrimidin-2-amine
• SMILES: COc1ccc(CN(C)c2nc(Nc3ccc(P(C)(C)=O)cc3)ncc2C(F)(F)F)cc1OC.COc1ccc2c(c1)CN(c1nc(Nc3ccc(P(C)(C)=O)cc3)ncc1C(F)(F)F)CC2.CP(C)(=O)c1ccc(Nc2ncc(C(F)(F)F)c(Cl)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.Cn1ccc2ccc(-c3nc(Nc4ccc(P(C)(C)=O)cc4)ncc3C(F)(F)F)cc21
• InChI: InChI=1S/C23H26F3N4O3P.C23H24F3N4O2P.2C22H20Cl2F3N4OP.C22H20F3N4OP.C13H12ClF3N3OP/c1-30(14-15-6-11-19(32-2)20(12-15)33-3)21-18(23(24,25)26)13-27-22(29-21)28-16-7-9-17(10-8-16)34(4,5)31;1-32-18-7-4-15-10-11-30(14-16(15)12-18)21-20(23(24,25)26)13-27-22(29-21)28-17-5-8-19(9-6-17)33(2,3)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;1-29-11-10-14-4-5-15(12-19(14)29)20-18(22(23,24)25)13-26-21(28-20)27-16-6-8-17(9-7-16)31(2,3)30;1-22(2,21)9-5-3-8(4-6-9)19-12-18-7-10(11(14)20-12)13(15,16)17/h6-13H,14H2,1-5H3,(H,27,28,29);4-9,12-13H,10-11,14H2,1-3H3,(H,27,28,29);2*3-6,9-11H,7-8,12H2,1-2H3,(H,28,29,30);4-13H,1-3H3,(H,26,27,28);3-7H,1-2H3,(H,18,19,20)
• InChIKey: VADGUTPZKOJNQY-UHFFFAOYSA-N
• XLogP: 32.70
• TPSA: 374.86 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 32
• Rotatable Bonds: 28
• Heavy Atoms: 186
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2795.58
LogP ≤ 5	32.70
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-dimethylphosphorylphenyl)-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-N-[(3,4-dimethoxyphenyl)methyl]-2-N-(4-dimethylphosphorylphenyl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine;N-(4-dimethylphosphorylphenyl)-4-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-5-(trifluoromethyl)pyrimidin-2-amine;N-(4-dimethylphosphorylphenyl)-4-(1-methylindol-6-yl)-5-(trifluoromethyl)pyrimidin-2-amine?

The IUPAC name of 4-chloro-N-(4-dimethylphosphorylphenyl)-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-N-[(3,4-dimethoxyphenyl)methyl]-2-N-(4-dimethylphosphorylphenyl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine;N-(4-dimethylphosphorylphenyl)-4-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-5-(trifluoromethyl)pyrimidin-2-amine;N-(4-dimethylphosphorylphenyl)-4-(1-methylindol-6-yl)-5-(trifluoromethyl)pyrimidin-2-amine (CID 161242047) is 4-chloro-N-(4-dimethylphosphorylphenyl)-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-N-[(3,4-dimethoxyphenyl)methyl]-2-N-(4-dimethylphosphorylphenyl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine;N-(4-dimethylphosphorylphenyl)-4-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-5-(trifluoromethyl)pyrimidin-2-amine;N-(4-dimethylphosphorylphenyl)-4-(1-methylindol-6-yl)-5-(trifluoromethyl)pyrimidin-2-amine.

What is the SMILES notation for 4-chloro-N-(4-dimethylphosphorylphenyl)-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-N-[(3,4-dimethoxyphenyl)methyl]-2-N-(4-dimethylphosphorylphenyl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine;N-(4-dimethylphosphorylphenyl)-4-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-5-(trifluoromethyl)pyrimidin-2-amine;N-(4-dimethylphosphorylphenyl)-4-(1-methylindol-6-yl)-5-(trifluoromethyl)pyrimidin-2-amine?

The canonical SMILES for 4-chloro-N-(4-dimethylphosphorylphenyl)-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-N-[(3,4-dimethoxyphenyl)methyl]-2-N-(4-dimethylphosphorylphenyl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine;N-(4-dimethylphosphorylphenyl)-4-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-5-(trifluoromethyl)pyrimidin-2-amine;N-(4-dimethylphosphorylphenyl)-4-(1-methylindol-6-yl)-5-(trifluoromethyl)pyrimidin-2-amine is COc1ccc(CN(C)c2nc(Nc3ccc(P(C)(C)=O)cc3)ncc2C(F)(F)F)cc1OC.COc1ccc2c(c1)CN(c1nc(Nc3ccc(P(C)(C)=O)cc3)ncc1C(F)(F)F)CC2.CP(C)(=O)c1ccc(Nc2ncc(C(F)(F)F)c(Cl)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.Cn1ccc2ccc(-c3nc(Nc4ccc(P(C)(C)=O)cc4)ncc3C(F)(F)F)cc21.

What is the InChIKey of 4-chloro-N-(4-dimethylphosphorylphenyl)-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-N-[(3,4-dimethoxyphenyl)methyl]-2-N-(4-dimethylphosphorylphenyl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine;N-(4-dimethylphosphorylphenyl)-4-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-5-(trifluoromethyl)pyrimidin-2-amine;N-(4-dimethylphosphorylphenyl)-4-(1-methylindol-6-yl)-5-(trifluoromethyl)pyrimidin-2-amine?

The InChIKey is VADGUTPZKOJNQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F3N4O3P.C23H24F3N4O2P.2C22H20Cl2F3N4OP.C22H20F3N4OP.C13H12ClF3N3OP/c1-30(14-15-6-11-19(32-2)20(12-15)33-3)21-18(23(24,25)26)13-27-22(29-21)28-16-7-9-17(10-8-16)34(4,5)31;1-32-18-7-4-15-10-11-30(14-16(15)12-18)21-20(23(24,25)26)13-27-22(29-21)28-17-5-8-19(9-6-17)33(2,3)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;1-29-11-10-14-4-5-15(12-19(14)29)20-18(22(23,24)25)13-26-21(28-20)27-16-6-8-17(9-7-16)31(2,3)30;1-22(2,21)9-5-3-8(4-6-9)19-12-18-7-10(11(14)20-12)13(15,16)17/h6-13H,14H2,1-5H3,(H,27,28,29);4-9,12-13H,10-11,14H2,1-3H3,(H,27,28,29);2*3-6,9-11H,7-8,12H2,1-2H3,(H,28,29,30);4-13H,1-3H3,(H,26,27,28);3-7H,1-2H3,(H,18,19,20).

What are the key properties of 4-chloro-N-(4-dimethylphosphorylphenyl)-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-N-[(3,4-dimethoxyphenyl)methyl]-2-N-(4-dimethylphosphorylphenyl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine;N-(4-dimethylphosphorylphenyl)-4-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-5-(trifluoromethyl)pyrimidin-2-amine;N-(4-dimethylphosphorylphenyl)-4-(1-methylindol-6-yl)-5-(trifluoromethyl)pyrimidin-2-amine?

4-chloro-N-(4-dimethylphosphorylphenyl)-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-N-[(3,4-dimethoxyphenyl)methyl]-2-N-(4-dimethylphosphorylphenyl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine;N-(4-dimethylphosphorylphenyl)-4-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-5-(trifluoromethyl)pyrimidin-2-amine;N-(4-dimethylphosphorylphenyl)-4-(1-methylindol-6-yl)-5-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 2795.58 g/mol, XLogP of 32.70, 28 rotatable bonds, 6 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-N-(4-dimethylphosphorylphenyl)-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-N-[(3,4-dimethoxyphenyl)methyl]-2-N-(4-dimethylphosphorylphenyl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine;N-(4-dimethylphosphorylphenyl)-4-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-5-(trifluoromethyl)pyrimidin-2-amine;N-(4-dimethylphosphorylphenyl)-4-(1-methylindol-6-yl)-5-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 161242047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).