4-N-(1-adamantyl)-2-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;4-N-(1,3-benzodioxol-5-yl)-2-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;5-chloro-4-N-(5-dimethylphosphoryl-3-methoxypyrazin-2-yl)-2-N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]pyrimidine-2,4-diamine;1-[3-[[2-(4-dimethylphosphorylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]ethanone;2-N-(4-dimethylphosphorylphenyl)-4-N-pentan-3-yl-5-(trifluoromethyl)pyrimidine-2,4-diamine;2-N-(4-dimethylphosphorylphenyl)-4-N-phenyl-5-(trifluoromethyl)pyrimidine-2,4-diamine

C129H147ClF15N29O11P6 — CID 159789809

About 4-N-(1-adamantyl)-2-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;4-N-(1,3-benzodioxol-5-yl)-2-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;5-chloro-4-N-(5-dimethylphosphoryl-3-methoxypyrazin-2-yl)-2-N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]pyrimidine-2,4-diamine;1-[3-[[2-(4-dimethylphosphorylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]ethanone;2-N-(4-dimethylphosphorylphenyl)-4-N-pentan-3-yl-5-(trifluoromethyl)pyrimidine-2,4-diamine;2-N-(4-dimethylphosphorylphenyl)-4-N-phenyl-5-(trifluoromethyl)pyrimidine-2,4-diamine

4-N-(1-adamantyl)-2-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;4-N-(1,3-benzodioxol-5-yl)-2-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;5-chloro-4-N-(5-dimethylphosphoryl-3-methoxypyrazin-2-yl)-2-N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]pyrimidine-2,4-diamine;1-[3-[[2-(4-dimethylphosphorylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]ethanone;2-N-(4-dimethylphosphorylphenyl)-4-N-pentan-3-yl-5-(trifluoromethyl)pyrimidine-2,4-diamine;2-N-(4-dimethylphosphorylphenyl)-4-N-phenyl-5-(trifluoromethyl)pyrimidine-2,4-diamine (PubChem CID 159789809) has the molecular formula C129H147ClF15N29O11P6 and a molecular weight of 2786.05 g/mol. Its IUPAC name is 4-N-(1-adamantyl)-2-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;4-N-(1,3-benzodioxol-5-yl)-2-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;5-chloro-4-N-(5-dimethylphosphoryl-3-methoxypyrazin-2-yl)-2-N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]pyrimidine-2,4-diamine;1-[3-[[2-(4-dimethylphosphorylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]ethanone;2-N-(4-dimethylphosphorylphenyl)-4-N-pentan-3-yl-5-(trifluoromethyl)pyrimidine-2,4-diamine;2-N-(4-dimethylphosphorylphenyl)-4-N-phenyl-5-(trifluoromethyl)pyrimidine-2,4-diamine.

Molecular Properties

• Compound Name: 4-N-(1-adamantyl)-2-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;4-N-(1,3-benzodioxol-5-yl)-2-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;5-chloro-4-N-(5-dimethylphosphoryl-3-methoxypyrazin-2-yl)-2-N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]pyrimidine-2,4-diamine;1-[3-[[2-(4-dimethylphosphorylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]ethanone;2-N-(4-dimethylphosphorylphenyl)-4-N-pentan-3-yl-5-(trifluoromethyl)pyrimidine-2,4-diamine;2-N-(4-dimethylphosphorylphenyl)-4-N-phenyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
• PubChem CID: 159789809
• Molecular Formula: C129H147ClF15N29O11P6
• Molecular Weight: 2786.05 g/mol
• Exact Mass: 2783.97
• IUPAC Name: 4-N-(1-adamantyl)-2-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;4-N-(1,3-benzodioxol-5-yl)-2-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;5-chloro-4-N-(5-dimethylphosphoryl-3-methoxypyrazin-2-yl)-2-N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]pyrimidine-2,4-diamine;1-[3-[[2-(4-dimethylphosphorylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]ethanone;2-N-(4-dimethylphosphorylphenyl)-4-N-pentan-3-yl-5-(trifluoromethyl)pyrimidine-2,4-diamine;2-N-(4-dimethylphosphorylphenyl)-4-N-phenyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
• SMILES: CC(=O)c1cccc(Nc2nc(Nc3ccc(P(C)(C)=O)cc3)ncc2C(F)(F)F)c1.CCC(CC)Nc1nc(Nc2ccc(P(C)(C)=O)cc2)ncc1C(F)(F)F.COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ncc(P(C)(C)=O)nc2OC)n1.CP(C)(=O)c1ccc(Nc2ncc(C(F)(F)F)c(NC34CC5CC(CC(C5)C3)C4)n2)cc1.CP(C)(=O)c1ccc(Nc2ncc(C(F)(F)F)c(Nc3ccc4c(c3)OCO4)n2)cc1.CP(C)(=O)c1ccc(Nc2ncc(C(F)(F)F)c(Nc3ccccc3)n2)cc1
• InChI: InChI=1S/C28H39ClN9O3P.C23H28F3N4OP.C21H20F3N4O2P.C20H18F3N4O3P.C19H18F3N4OP.C18H24F3N4OP/c1-36-12-14-38(15-13-36)19-8-10-37(11-9-19)20-6-7-22(23(16-20)40-2)32-28-31-17-21(29)25(35-28)34-26-27(41-3)33-24(18-30-26)42(4,5)39;1-32(2,31)18-5-3-17(4-6-18)28-21-27-13-19(23(24,25)26)20(29-21)30-22-10-14-7-15(11-22)9-16(8-14)12-22;1-13(29)14-5-4-6-16(11-14)26-19-18(21(22,23)24)12-25-20(28-19)27-15-7-9-17(10-8-15)31(2,3)30;1-31(2,28)14-6-3-12(4-7-14)26-19-24-10-15(20(21,22)23)18(27-19)25-13-5-8-16-17(9-13)30-11-29-16;1-28(2,27)15-10-8-14(9-11-15)25-18-23-12-16(19(20,21)22)17(26-18)24-13-6-4-3-5-7-13;1-5-12(6-2)23-16-15(18(19,20)21)11-22-17(25-16)24-13-7-9-14(10-8-13)27(3,4)26/h6-7,16-19H,8-15H2,1-5H3,(H2,30,31,32,34,35);3-6,13-16H,7-12H2,1-2H3,(H2,27,28,29,30);4-12H,1-3H3,(H2,25,26,27,28);3-10H,11H2,1-2H3,(H2,24,25,26,27);3-12H,1-2H3,(H2,23,24,25,26);7-12H,5-6H2,1-4H3,(H2,22,23,24,25)
• InChIKey: NIKMFYTWYUKJLI-UHFFFAOYSA-N
• XLogP: 30.47
• TPSA: 490.95 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 40
• Rotatable Bonds: 37
• Heavy Atoms: 191
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2786.05
LogP ≤ 5	30.47
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-N-(1-adamantyl)-2-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;4-N-(1,3-benzodioxol-5-yl)-2-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;5-chloro-4-N-(5-dimethylphosphoryl-3-methoxypyrazin-2-yl)-2-N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]pyrimidine-2,4-diamine;1-[3-[[2-(4-dimethylphosphorylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]ethanone;2-N-(4-dimethylphosphorylphenyl)-4-N-pentan-3-yl-5-(trifluoromethyl)pyrimidine-2,4-diamine;2-N-(4-dimethylphosphorylphenyl)-4-N-phenyl-5-(trifluoromethyl)pyrimidine-2,4-diamine?

The IUPAC name of 4-N-(1-adamantyl)-2-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;4-N-(1,3-benzodioxol-5-yl)-2-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;5-chloro-4-N-(5-dimethylphosphoryl-3-methoxypyrazin-2-yl)-2-N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]pyrimidine-2,4-diamine;1-[3-[[2-(4-dimethylphosphorylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]ethanone;2-N-(4-dimethylphosphorylphenyl)-4-N-pentan-3-yl-5-(trifluoromethyl)pyrimidine-2,4-diamine;2-N-(4-dimethylphosphorylphenyl)-4-N-phenyl-5-(trifluoromethyl)pyrimidine-2,4-diamine (CID 159789809) is 4-N-(1-adamantyl)-2-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;4-N-(1,3-benzodioxol-5-yl)-2-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;5-chloro-4-N-(5-dimethylphosphoryl-3-methoxypyrazin-2-yl)-2-N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]pyrimidine-2,4-diamine;1-[3-[[2-(4-dimethylphosphorylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]ethanone;2-N-(4-dimethylphosphorylphenyl)-4-N-pentan-3-yl-5-(trifluoromethyl)pyrimidine-2,4-diamine;2-N-(4-dimethylphosphorylphenyl)-4-N-phenyl-5-(trifluoromethyl)pyrimidine-2,4-diamine.

What is the SMILES notation for 4-N-(1-adamantyl)-2-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;4-N-(1,3-benzodioxol-5-yl)-2-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;5-chloro-4-N-(5-dimethylphosphoryl-3-methoxypyrazin-2-yl)-2-N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]pyrimidine-2,4-diamine;1-[3-[[2-(4-dimethylphosphorylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]ethanone;2-N-(4-dimethylphosphorylphenyl)-4-N-pentan-3-yl-5-(trifluoromethyl)pyrimidine-2,4-diamine;2-N-(4-dimethylphosphorylphenyl)-4-N-phenyl-5-(trifluoromethyl)pyrimidine-2,4-diamine?

The canonical SMILES for 4-N-(1-adamantyl)-2-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;4-N-(1,3-benzodioxol-5-yl)-2-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;5-chloro-4-N-(5-dimethylphosphoryl-3-methoxypyrazin-2-yl)-2-N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]pyrimidine-2,4-diamine;1-[3-[[2-(4-dimethylphosphorylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]ethanone;2-N-(4-dimethylphosphorylphenyl)-4-N-pentan-3-yl-5-(trifluoromethyl)pyrimidine-2,4-diamine;2-N-(4-dimethylphosphorylphenyl)-4-N-phenyl-5-(trifluoromethyl)pyrimidine-2,4-diamine is CC(=O)c1cccc(Nc2nc(Nc3ccc(P(C)(C)=O)cc3)ncc2C(F)(F)F)c1.CCC(CC)Nc1nc(Nc2ccc(P(C)(C)=O)cc2)ncc1C(F)(F)F.COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ncc(P(C)(C)=O)nc2OC)n1.CP(C)(=O)c1ccc(Nc2ncc(C(F)(F)F)c(NC34CC5CC(CC(C5)C3)C4)n2)cc1.CP(C)(=O)c1ccc(Nc2ncc(C(F)(F)F)c(Nc3ccc4c(c3)OCO4)n2)cc1.CP(C)(=O)c1ccc(Nc2ncc(C(F)(F)F)c(Nc3ccccc3)n2)cc1.

What is the InChIKey of 4-N-(1-adamantyl)-2-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;4-N-(1,3-benzodioxol-5-yl)-2-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;5-chloro-4-N-(5-dimethylphosphoryl-3-methoxypyrazin-2-yl)-2-N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]pyrimidine-2,4-diamine;1-[3-[[2-(4-dimethylphosphorylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]ethanone;2-N-(4-dimethylphosphorylphenyl)-4-N-pentan-3-yl-5-(trifluoromethyl)pyrimidine-2,4-diamine;2-N-(4-dimethylphosphorylphenyl)-4-N-phenyl-5-(trifluoromethyl)pyrimidine-2,4-diamine?

The InChIKey is NIKMFYTWYUKJLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H39ClN9O3P.C23H28F3N4OP.C21H20F3N4O2P.C20H18F3N4O3P.C19H18F3N4OP.C18H24F3N4OP/c1-36-12-14-38(15-13-36)19-8-10-37(11-9-19)20-6-7-22(23(16-20)40-2)32-28-31-17-21(29)25(35-28)34-26-27(41-3)33-24(18-30-26)42(4,5)39;1-32(2,31)18-5-3-17(4-6-18)28-21-27-13-19(23(24,25)26)20(29-21)30-22-10-14-7-15(11-22)9-16(8-14)12-22;1-13(29)14-5-4-6-16(11-14)26-19-18(21(22,23)24)12-25-20(28-19)27-15-7-9-17(10-8-15)31(2,3)30;1-31(2,28)14-6-3-12(4-7-14)26-19-24-10-15(20(21,22)23)18(27-19)25-13-5-8-16-17(9-13)30-11-29-16;1-28(2,27)15-10-8-14(9-11-15)25-18-23-12-16(19(20,21)22)17(26-18)24-13-6-4-3-5-7-13;1-5-12(6-2)23-16-15(18(19,20)21)11-22-17(25-16)24-13-7-9-14(10-8-13)27(3,4)26/h6-7,16-19H,8-15H2,1-5H3,(H2,30,31,32,34,35);3-6,13-16H,7-12H2,1-2H3,(H2,27,28,29,30);4-12H,1-3H3,(H2,25,26,27,28);3-10H,11H2,1-2H3,(H2,24,25,26,27);3-12H,1-2H3,(H2,23,24,25,26);7-12H,5-6H2,1-4H3,(H2,22,23,24,25).

What are the key properties of 4-N-(1-adamantyl)-2-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;4-N-(1,3-benzodioxol-5-yl)-2-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;5-chloro-4-N-(5-dimethylphosphoryl-3-methoxypyrazin-2-yl)-2-N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]pyrimidine-2,4-diamine;1-[3-[[2-(4-dimethylphosphorylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]ethanone;2-N-(4-dimethylphosphorylphenyl)-4-N-pentan-3-yl-5-(trifluoromethyl)pyrimidine-2,4-diamine;2-N-(4-dimethylphosphorylphenyl)-4-N-phenyl-5-(trifluoromethyl)pyrimidine-2,4-diamine?

4-N-(1-adamantyl)-2-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;4-N-(1,3-benzodioxol-5-yl)-2-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;5-chloro-4-N-(5-dimethylphosphoryl-3-methoxypyrazin-2-yl)-2-N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]pyrimidine-2,4-diamine;1-[3-[[2-(4-dimethylphosphorylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]ethanone;2-N-(4-dimethylphosphorylphenyl)-4-N-pentan-3-yl-5-(trifluoromethyl)pyrimidine-2,4-diamine;2-N-(4-dimethylphosphorylphenyl)-4-N-phenyl-5-(trifluoromethyl)pyrimidine-2,4-diamine has a molecular weight of 2786.05 g/mol, XLogP of 30.47, 37 rotatable bonds, 12 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 4-N-(1-adamantyl)-2-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;4-N-(1,3-benzodioxol-5-yl)-2-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;5-chloro-4-N-(5-dimethylphosphoryl-3-methoxypyrazin-2-yl)-2-N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]pyrimidine-2,4-diamine;1-[3-[[2-(4-dimethylphosphorylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]ethanone;2-N-(4-dimethylphosphorylphenyl)-4-N-pentan-3-yl-5-(trifluoromethyl)pyrimidine-2,4-diamine;2-N-(4-dimethylphosphorylphenyl)-4-N-phenyl-5-(trifluoromethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 159789809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).