2-N-butyl-2-N-cyclohexyl-4-N,4-N-dimethyl-6-N-(4-methylphenyl)pyrimidine-2,4,6-triamine;6-N-(3-chloro-4-methylphenyl)-4-N,4-N-dimethyl-2-N-phenylpyrimidine-2,4,6-triamine;6-N-(4-chloro-3-methylphenyl)-2-N-[2-(1H-indol-3-yl)ethyl]-2-N,4-N,4-N-trimethylpyrimidine-2,4,6-triamine;2-N-(3,4-dichlorophenyl)-4-N,4-N-dimethyl-6-N-(4-methylphenyl)pyrimidine-2,4,6-triamine;4-N,4-N-dimethyl-2-N-phenyl-6-N-[3-[[(2R,3S)-3,6,6-trimethyl-2-bicyclo[3.1.1]heptanyl]amino]phenyl]pyrimidine-2,4,6-triamine;2-N-[2-(1H-indol-3-yl)ethyl]-2-N,4-N,4-N-trimethyl-6-N-(4-methylphenyl)pyrimidine-2,4,6-triamine

C137H165Cl4N33 — CID 158747752

About 2-N-butyl-2-N-cyclohexyl-4-N,4-N-dimethyl-6-N-(4-methylphenyl)pyrimidine-2,4,6-triamine;6-N-(3-chloro-4-methylphenyl)-4-N,4-N-dimethyl-2-N-phenylpyrimidine-2,4,6-triamine;6-N-(4-chloro-3-methylphenyl)-2-N-[2-(1H-indol-3-yl)ethyl]-2-N,4-N,4-N-trimethylpyrimidine-2,4,6-triamine;2-N-(3,4-dichlorophenyl)-4-N,4-N-dimethyl-6-N-(4-methylphenyl)pyrimidine-2,4,6-triamine;4-N,4-N-dimethyl-2-N-phenyl-6-N-[3-[[(2R,3S)-3,6,6-trimethyl-2-bicyclo[3.1.1]heptanyl]amino]phenyl]pyrimidine-2,4,6-triamine;2-N-[2-(1H-indol-3-yl)ethyl]-2-N,4-N,4-N-trimethyl-6-N-(4-methylphenyl)pyrimidine-2,4,6-triamine

2-N-butyl-2-N-cyclohexyl-4-N,4-N-dimethyl-6-N-(4-methylphenyl)pyrimidine-2,4,6-triamine;6-N-(3-chloro-4-methylphenyl)-4-N,4-N-dimethyl-2-N-phenylpyrimidine-2,4,6-triamine;6-N-(4-chloro-3-methylphenyl)-2-N-[2-(1H-indol-3-yl)ethyl]-2-N,4-N,4-N-trimethylpyrimidine-2,4,6-triamine;2-N-(3,4-dichlorophenyl)-4-N,4-N-dimethyl-6-N-(4-methylphenyl)pyrimidine-2,4,6-triamine;4-N,4-N-dimethyl-2-N-phenyl-6-N-[3-[[(2R,3S)-3,6,6-trimethyl-2-bicyclo[3.1.1]heptanyl]amino]phenyl]pyrimidine-2,4,6-triamine;2-N-[2-(1H-indol-3-yl)ethyl]-2-N,4-N,4-N-trimethyl-6-N-(4-methylphenyl)pyrimidine-2,4,6-triamine (PubChem CID 158747752) has the molecular formula C137H165Cl4N33 and a molecular weight of 2415.87 g/mol. Its IUPAC name is 2-N-butyl-2-N-cyclohexyl-4-N,4-N-dimethyl-6-N-(4-methylphenyl)pyrimidine-2,4,6-triamine;6-N-(3-chloro-4-methylphenyl)-4-N,4-N-dimethyl-2-N-phenylpyrimidine-2,4,6-triamine;6-N-(4-chloro-3-methylphenyl)-2-N-[2-(1H-indol-3-yl)ethyl]-2-N,4-N,4-N-trimethylpyrimidine-2,4,6-triamine;2-N-(3,4-dichlorophenyl)-4-N,4-N-dimethyl-6-N-(4-methylphenyl)pyrimidine-2,4,6-triamine;4-N,4-N-dimethyl-2-N-phenyl-6-N-[3-[[(2R,3S)-3,6,6-trimethyl-2-bicyclo[3.1.1]heptanyl]amino]phenyl]pyrimidine-2,4,6-triamine;2-N-[2-(1H-indol-3-yl)ethyl]-2-N,4-N,4-N-trimethyl-6-N-(4-methylphenyl)pyrimidine-2,4,6-triamine.

Molecular Properties

• Compound Name: 2-N-butyl-2-N-cyclohexyl-4-N,4-N-dimethyl-6-N-(4-methylphenyl)pyrimidine-2,4,6-triamine;6-N-(3-chloro-4-methylphenyl)-4-N,4-N-dimethyl-2-N-phenylpyrimidine-2,4,6-triamine;6-N-(4-chloro-3-methylphenyl)-2-N-[2-(1H-indol-3-yl)ethyl]-2-N,4-N,4-N-trimethylpyrimidine-2,4,6-triamine;2-N-(3,4-dichlorophenyl)-4-N,4-N-dimethyl-6-N-(4-methylphenyl)pyrimidine-2,4,6-triamine;4-N,4-N-dimethyl-2-N-phenyl-6-N-[3-[[(2R,3S)-3,6,6-trimethyl-2-bicyclo[3.1.1]heptanyl]amino]phenyl]pyrimidine-2,4,6-triamine;2-N-[2-(1H-indol-3-yl)ethyl]-2-N,4-N,4-N-trimethyl-6-N-(4-methylphenyl)pyrimidine-2,4,6-triamine
• PubChem CID: 158747752
• Molecular Formula: C137H165Cl4N33
• Molecular Weight: 2415.87 g/mol
• Exact Mass: 2412.27
• IUPAC Name: 2-N-butyl-2-N-cyclohexyl-4-N,4-N-dimethyl-6-N-(4-methylphenyl)pyrimidine-2,4,6-triamine;6-N-(3-chloro-4-methylphenyl)-4-N,4-N-dimethyl-2-N-phenylpyrimidine-2,4,6-triamine;6-N-(4-chloro-3-methylphenyl)-2-N-[2-(1H-indol-3-yl)ethyl]-2-N,4-N,4-N-trimethylpyrimidine-2,4,6-triamine;2-N-(3,4-dichlorophenyl)-4-N,4-N-dimethyl-6-N-(4-methylphenyl)pyrimidine-2,4,6-triamine;4-N,4-N-dimethyl-2-N-phenyl-6-N-[3-[[(2R,3S)-3,6,6-trimethyl-2-bicyclo[3.1.1]heptanyl]amino]phenyl]pyrimidine-2,4,6-triamine;2-N-[2-(1H-indol-3-yl)ethyl]-2-N,4-N,4-N-trimethyl-6-N-(4-methylphenyl)pyrimidine-2,4,6-triamine
• SMILES: CCCCN(c1nc(Nc2ccc(C)cc2)cc(N(C)C)n1)C1CCCCC1.C[C@H]1CC2CC([C@@H]1Nc1cccc(Nc3cc(N(C)C)nc(Nc4ccccc4)n3)c1)C2(C)C.Cc1cc(Nc2cc(N(C)C)nc(N(C)CCc3c[nH]c4ccccc34)n2)ccc1Cl.Cc1ccc(Nc2cc(N(C)C)nc(N(C)CCc3c[nH]c4ccccc34)n2)cc1.Cc1ccc(Nc2cc(N(C)C)nc(Nc3ccc(Cl)c(Cl)c3)n2)cc1.Cc1ccc(Nc2cc(N(C)C)nc(Nc3ccccc3)n2)cc1Cl
• InChI: InChI=1S/C28H36N6.C24H27ClN6.C24H28N6.C23H35N5.C19H19Cl2N5.C19H20ClN5/c1-18-14-19-15-23(28(19,2)3)26(18)30-22-13-9-12-21(16-22)29-24-17-25(34(4)5)33-27(32-24)31-20-10-7-6-8-11-20;1-16-13-18(9-10-20(16)25)27-22-14-23(30(2)3)29-24(28-22)31(4)12-11-17-15-26-21-8-6-5-7-19(17)21;1-17-9-11-19(12-10-17)26-22-15-23(29(2)3)28-24(27-22)30(4)14-13-18-16-25-21-8-6-5-7-20(18)21;1-5-6-16-28(20-10-8-7-9-11-20)23-25-21(17-22(26-23)27(3)4)24-19-14-12-18(2)13-15-19;1-12-4-6-13(7-5-12)22-17-11-18(26(2)3)25-19(24-17)23-14-8-9-15(20)16(21)10-14;1-13-9-10-15(11-16(13)20)21-17-12-18(25(2)3)24-19(23-17)22-14-7-5-4-6-8-14/h6-13,16-19,23,26,30H,14-15H2,1-5H3,(H2,29,31,32,33);5-10,13-15,26H,11-12H2,1-4H3,(H,27,28,29);5-12,15-16,25H,13-14H2,1-4H3,(H,26,27,28);12-15,17,20H,5-11,16H2,1-4H3,(H,24,25,26);4-11H,1-3H3,(H2,22,23,24,25);4-12H,1-3H3,(H2,21,22,23,24)/t18-,19?,23?,26+;;;;;/m0...../s1
• InChIKey: INBZOVLOLSJACG-VWMATXHPSA-N
• XLogP: 32.85
• TPSA: 335.72 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 31
• Rotatable Bonds: 39
• Heavy Atoms: 174
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2415.87
LogP ≤ 5	32.85
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of 2-N-butyl-2-N-cyclohexyl-4-N,4-N-dimethyl-6-N-(4-methylphenyl)pyrimidine-2,4,6-triamine;6-N-(3-chloro-4-methylphenyl)-4-N,4-N-dimethyl-2-N-phenylpyrimidine-2,4,6-triamine;6-N-(4-chloro-3-methylphenyl)-2-N-[2-(1H-indol-3-yl)ethyl]-2-N,4-N,4-N-trimethylpyrimidine-2,4,6-triamine;2-N-(3,4-dichlorophenyl)-4-N,4-N-dimethyl-6-N-(4-methylphenyl)pyrimidine-2,4,6-triamine;4-N,4-N-dimethyl-2-N-phenyl-6-N-[3-[[(2R,3S)-3,6,6-trimethyl-2-bicyclo[3.1.1]heptanyl]amino]phenyl]pyrimidine-2,4,6-triamine;2-N-[2-(1H-indol-3-yl)ethyl]-2-N,4-N,4-N-trimethyl-6-N-(4-methylphenyl)pyrimidine-2,4,6-triamine?

The IUPAC name of 2-N-butyl-2-N-cyclohexyl-4-N,4-N-dimethyl-6-N-(4-methylphenyl)pyrimidine-2,4,6-triamine;6-N-(3-chloro-4-methylphenyl)-4-N,4-N-dimethyl-2-N-phenylpyrimidine-2,4,6-triamine;6-N-(4-chloro-3-methylphenyl)-2-N-[2-(1H-indol-3-yl)ethyl]-2-N,4-N,4-N-trimethylpyrimidine-2,4,6-triamine;2-N-(3,4-dichlorophenyl)-4-N,4-N-dimethyl-6-N-(4-methylphenyl)pyrimidine-2,4,6-triamine;4-N,4-N-dimethyl-2-N-phenyl-6-N-[3-[[(2R,3S)-3,6,6-trimethyl-2-bicyclo[3.1.1]heptanyl]amino]phenyl]pyrimidine-2,4,6-triamine;2-N-[2-(1H-indol-3-yl)ethyl]-2-N,4-N,4-N-trimethyl-6-N-(4-methylphenyl)pyrimidine-2,4,6-triamine (CID 158747752) is 2-N-butyl-2-N-cyclohexyl-4-N,4-N-dimethyl-6-N-(4-methylphenyl)pyrimidine-2,4,6-triamine;6-N-(3-chloro-4-methylphenyl)-4-N,4-N-dimethyl-2-N-phenylpyrimidine-2,4,6-triamine;6-N-(4-chloro-3-methylphenyl)-2-N-[2-(1H-indol-3-yl)ethyl]-2-N,4-N,4-N-trimethylpyrimidine-2,4,6-triamine;2-N-(3,4-dichlorophenyl)-4-N,4-N-dimethyl-6-N-(4-methylphenyl)pyrimidine-2,4,6-triamine;4-N,4-N-dimethyl-2-N-phenyl-6-N-[3-[[(2R,3S)-3,6,6-trimethyl-2-bicyclo[3.1.1]heptanyl]amino]phenyl]pyrimidine-2,4,6-triamine;2-N-[2-(1H-indol-3-yl)ethyl]-2-N,4-N,4-N-trimethyl-6-N-(4-methylphenyl)pyrimidine-2,4,6-triamine.

What is the SMILES notation for 2-N-butyl-2-N-cyclohexyl-4-N,4-N-dimethyl-6-N-(4-methylphenyl)pyrimidine-2,4,6-triamine;6-N-(3-chloro-4-methylphenyl)-4-N,4-N-dimethyl-2-N-phenylpyrimidine-2,4,6-triamine;6-N-(4-chloro-3-methylphenyl)-2-N-[2-(1H-indol-3-yl)ethyl]-2-N,4-N,4-N-trimethylpyrimidine-2,4,6-triamine;2-N-(3,4-dichlorophenyl)-4-N,4-N-dimethyl-6-N-(4-methylphenyl)pyrimidine-2,4,6-triamine;4-N,4-N-dimethyl-2-N-phenyl-6-N-[3-[[(2R,3S)-3,6,6-trimethyl-2-bicyclo[3.1.1]heptanyl]amino]phenyl]pyrimidine-2,4,6-triamine;2-N-[2-(1H-indol-3-yl)ethyl]-2-N,4-N,4-N-trimethyl-6-N-(4-methylphenyl)pyrimidine-2,4,6-triamine?

The canonical SMILES for 2-N-butyl-2-N-cyclohexyl-4-N,4-N-dimethyl-6-N-(4-methylphenyl)pyrimidine-2,4,6-triamine;6-N-(3-chloro-4-methylphenyl)-4-N,4-N-dimethyl-2-N-phenylpyrimidine-2,4,6-triamine;6-N-(4-chloro-3-methylphenyl)-2-N-[2-(1H-indol-3-yl)ethyl]-2-N,4-N,4-N-trimethylpyrimidine-2,4,6-triamine;2-N-(3,4-dichlorophenyl)-4-N,4-N-dimethyl-6-N-(4-methylphenyl)pyrimidine-2,4,6-triamine;4-N,4-N-dimethyl-2-N-phenyl-6-N-[3-[[(2R,3S)-3,6,6-trimethyl-2-bicyclo[3.1.1]heptanyl]amino]phenyl]pyrimidine-2,4,6-triamine;2-N-[2-(1H-indol-3-yl)ethyl]-2-N,4-N,4-N-trimethyl-6-N-(4-methylphenyl)pyrimidine-2,4,6-triamine is CCCCN(c1nc(Nc2ccc(C)cc2)cc(N(C)C)n1)C1CCCCC1.C[C@H]1CC2CC([C@@H]1Nc1cccc(Nc3cc(N(C)C)nc(Nc4ccccc4)n3)c1)C2(C)C.Cc1cc(Nc2cc(N(C)C)nc(N(C)CCc3c[nH]c4ccccc34)n2)ccc1Cl.Cc1ccc(Nc2cc(N(C)C)nc(N(C)CCc3c[nH]c4ccccc34)n2)cc1.Cc1ccc(Nc2cc(N(C)C)nc(Nc3ccc(Cl)c(Cl)c3)n2)cc1.Cc1ccc(Nc2cc(N(C)C)nc(Nc3ccccc3)n2)cc1Cl.

What is the InChIKey of 2-N-butyl-2-N-cyclohexyl-4-N,4-N-dimethyl-6-N-(4-methylphenyl)pyrimidine-2,4,6-triamine;6-N-(3-chloro-4-methylphenyl)-4-N,4-N-dimethyl-2-N-phenylpyrimidine-2,4,6-triamine;6-N-(4-chloro-3-methylphenyl)-2-N-[2-(1H-indol-3-yl)ethyl]-2-N,4-N,4-N-trimethylpyrimidine-2,4,6-triamine;2-N-(3,4-dichlorophenyl)-4-N,4-N-dimethyl-6-N-(4-methylphenyl)pyrimidine-2,4,6-triamine;4-N,4-N-dimethyl-2-N-phenyl-6-N-[3-[[(2R,3S)-3,6,6-trimethyl-2-bicyclo[3.1.1]heptanyl]amino]phenyl]pyrimidine-2,4,6-triamine;2-N-[2-(1H-indol-3-yl)ethyl]-2-N,4-N,4-N-trimethyl-6-N-(4-methylphenyl)pyrimidine-2,4,6-triamine?

The InChIKey is INBZOVLOLSJACG-VWMATXHPSA-N. The full InChI is InChI=1S/C28H36N6.C24H27ClN6.C24H28N6.C23H35N5.C19H19Cl2N5.C19H20ClN5/c1-18-14-19-15-23(28(19,2)3)26(18)30-22-13-9-12-21(16-22)29-24-17-25(34(4)5)33-27(32-24)31-20-10-7-6-8-11-20;1-16-13-18(9-10-20(16)25)27-22-14-23(30(2)3)29-24(28-22)31(4)12-11-17-15-26-21-8-6-5-7-19(17)21;1-17-9-11-19(12-10-17)26-22-15-23(29(2)3)28-24(27-22)30(4)14-13-18-16-25-21-8-6-5-7-20(18)21;1-5-6-16-28(20-10-8-7-9-11-20)23-25-21(17-22(26-23)27(3)4)24-19-14-12-18(2)13-15-19;1-12-4-6-13(7-5-12)22-17-11-18(26(2)3)25-19(24-17)23-14-8-9-15(20)16(21)10-14;1-13-9-10-15(11-16(13)20)21-17-12-18(25(2)3)24-19(23-17)22-14-7-5-4-6-8-14/h6-13,16-19,23,26,30H,14-15H2,1-5H3,(H2,29,31,32,33);5-10,13-15,26H,11-12H2,1-4H3,(H,27,28,29);5-12,15-16,25H,13-14H2,1-4H3,(H,26,27,28);12-15,17,20H,5-11,16H2,1-4H3,(H,24,25,26);4-11H,1-3H3,(H2,22,23,24,25);4-12H,1-3H3,(H2,21,22,23,24)/t18-,19?,23?,26+;;;;;/m0...../s1.

What are the key properties of 2-N-butyl-2-N-cyclohexyl-4-N,4-N-dimethyl-6-N-(4-methylphenyl)pyrimidine-2,4,6-triamine;6-N-(3-chloro-4-methylphenyl)-4-N,4-N-dimethyl-2-N-phenylpyrimidine-2,4,6-triamine;6-N-(4-chloro-3-methylphenyl)-2-N-[2-(1H-indol-3-yl)ethyl]-2-N,4-N,4-N-trimethylpyrimidine-2,4,6-triamine;2-N-(3,4-dichlorophenyl)-4-N,4-N-dimethyl-6-N-(4-methylphenyl)pyrimidine-2,4,6-triamine;4-N,4-N-dimethyl-2-N-phenyl-6-N-[3-[[(2R,3S)-3,6,6-trimethyl-2-bicyclo[3.1.1]heptanyl]amino]phenyl]pyrimidine-2,4,6-triamine;2-N-[2-(1H-indol-3-yl)ethyl]-2-N,4-N,4-N-trimethyl-6-N-(4-methylphenyl)pyrimidine-2,4,6-triamine?

2-N-butyl-2-N-cyclohexyl-4-N,4-N-dimethyl-6-N-(4-methylphenyl)pyrimidine-2,4,6-triamine;6-N-(3-chloro-4-methylphenyl)-4-N,4-N-dimethyl-2-N-phenylpyrimidine-2,4,6-triamine;6-N-(4-chloro-3-methylphenyl)-2-N-[2-(1H-indol-3-yl)ethyl]-2-N,4-N,4-N-trimethylpyrimidine-2,4,6-triamine;2-N-(3,4-dichlorophenyl)-4-N,4-N-dimethyl-6-N-(4-methylphenyl)pyrimidine-2,4,6-triamine;4-N,4-N-dimethyl-2-N-phenyl-6-N-[3-[[(2R,3S)-3,6,6-trimethyl-2-bicyclo[3.1.1]heptanyl]amino]phenyl]pyrimidine-2,4,6-triamine;2-N-[2-(1H-indol-3-yl)ethyl]-2-N,4-N,4-N-trimethyl-6-N-(4-methylphenyl)pyrimidine-2,4,6-triamine has a molecular weight of 2415.87 g/mol, XLogP of 32.85, 39 rotatable bonds, 12 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N-butyl-2-N-cyclohexyl-4-N,4-N-dimethyl-6-N-(4-methylphenyl)pyrimidine-2,4,6-triamine;6-N-(3-chloro-4-methylphenyl)-4-N,4-N-dimethyl-2-N-phenylpyrimidine-2,4,6-triamine;6-N-(4-chloro-3-methylphenyl)-2-N-[2-(1H-indol-3-yl)ethyl]-2-N,4-N,4-N-trimethylpyrimidine-2,4,6-triamine;2-N-(3,4-dichlorophenyl)-4-N,4-N-dimethyl-6-N-(4-methylphenyl)pyrimidine-2,4,6-triamine;4-N,4-N-dimethyl-2-N-phenyl-6-N-[3-[[(2R,3S)-3,6,6-trimethyl-2-bicyclo[3.1.1]heptanyl]amino]phenyl]pyrimidine-2,4,6-triamine;2-N-[2-(1H-indol-3-yl)ethyl]-2-N,4-N,4-N-trimethyl-6-N-(4-methylphenyl)pyrimidine-2,4,6-triamine is sourced from PubChem (CID 158747752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).