4-chloro-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

C59H62ClF9N11O6P3 — CID 159155655

About 4-chloro-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

4-chloro-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 (PubChem CID 159155655) has the molecular formula C59H62ClF9N11O6P3 and a molecular weight of 1320.57 g/mol. Its IUPAC name is 4-chloro-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.

Molecular Properties

• Compound Name: 4-chloro-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
• PubChem CID: 159155655
• Molecular Formula: C59H62ClF9N11O6P3
• Molecular Weight: 1320.57 g/mol
• Exact Mass: 1319.36
• IUPAC Name: 4-chloro-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
• 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
• InChI: InChI=1S/C23H26F3N4O3P.C23H24F3N4O2P.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;1-22(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);3-7H,1-2H3,(H,18,19,20)
• InChIKey: KJVYPLAPIGUQKX-UHFFFAOYSA-N
• XLogP: 14.34
• TPSA: 198.81 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 17
• Rotatable Bonds: 16
• Heavy Atoms: 89
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1320.57
LogP ≤ 5	14.34
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	17

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-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?

The IUPAC name of 4-chloro-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 (CID 159155655) is 4-chloro-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.

What is the SMILES notation for 4-chloro-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?

The canonical SMILES for 4-chloro-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 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.

What is the InChIKey of 4-chloro-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?

The InChIKey is KJVYPLAPIGUQKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F3N4O3P.C23H24F3N4O2P.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;1-22(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);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-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?

4-chloro-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 has a molecular weight of 1320.57 g/mol, XLogP of 14.34, 16 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-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 is sourced from PubChem (CID 159155655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).