2-N,4-N-bis(3-methylphenyl)-6-N-(3-methylsulfanylphenyl)-1,3,5-triazine-2,4,6-triamine;2-N,4-N-bis(3-methylphenyl)-6-N-pyridin-3-yl-1,3,5-triazine-2,4,6-triamine;2-N,4-N-bis(3-methylphenyl)-6-N-pyridin-4-yl-1,3,5-triazine-2,4,6-triamine;2-N,4-N-bis(3-methylphenyl)-6-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4,6-triamine;2-N-(2-chlorophenyl)-4-N,6-N-bis(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine

C115H108ClF3N32S — CID 160990312

About 2-N,4-N-bis(3-methylphenyl)-6-N-(3-methylsulfanylphenyl)-1,3,5-triazine-2,4,6-triamine;2-N,4-N-bis(3-methylphenyl)-6-N-pyridin-3-yl-1,3,5-triazine-2,4,6-triamine;2-N,4-N-bis(3-methylphenyl)-6-N-pyridin-4-yl-1,3,5-triazine-2,4,6-triamine;2-N,4-N-bis(3-methylphenyl)-6-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4,6-triamine;2-N-(2-chlorophenyl)-4-N,6-N-bis(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine

2-N,4-N-bis(3-methylphenyl)-6-N-(3-methylsulfanylphenyl)-1,3,5-triazine-2,4,6-triamine;2-N,4-N-bis(3-methylphenyl)-6-N-pyridin-3-yl-1,3,5-triazine-2,4,6-triamine;2-N,4-N-bis(3-methylphenyl)-6-N-pyridin-4-yl-1,3,5-triazine-2,4,6-triamine;2-N,4-N-bis(3-methylphenyl)-6-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4,6-triamine;2-N-(2-chlorophenyl)-4-N,6-N-bis(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 160990312) has the molecular formula C115H108ClF3N32S and a molecular weight of 2062.87 g/mol. Its IUPAC name is 2-N,4-N-bis(3-methylphenyl)-6-N-(3-methylsulfanylphenyl)-1,3,5-triazine-2,4,6-triamine;2-N,4-N-bis(3-methylphenyl)-6-N-pyridin-3-yl-1,3,5-triazine-2,4,6-triamine;2-N,4-N-bis(3-methylphenyl)-6-N-pyridin-4-yl-1,3,5-triazine-2,4,6-triamine;2-N,4-N-bis(3-methylphenyl)-6-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4,6-triamine;2-N-(2-chlorophenyl)-4-N,6-N-bis(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

• Compound Name: 2-N,4-N-bis(3-methylphenyl)-6-N-(3-methylsulfanylphenyl)-1,3,5-triazine-2,4,6-triamine;2-N,4-N-bis(3-methylphenyl)-6-N-pyridin-3-yl-1,3,5-triazine-2,4,6-triamine;2-N,4-N-bis(3-methylphenyl)-6-N-pyridin-4-yl-1,3,5-triazine-2,4,6-triamine;2-N,4-N-bis(3-methylphenyl)-6-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4,6-triamine;2-N-(2-chlorophenyl)-4-N,6-N-bis(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine
• PubChem CID: 160990312
• Molecular Formula: C115H108ClF3N32S
• Molecular Weight: 2062.87 g/mol
• Exact Mass: 2060.88
• IUPAC Name: 2-N,4-N-bis(3-methylphenyl)-6-N-(3-methylsulfanylphenyl)-1,3,5-triazine-2,4,6-triamine;2-N,4-N-bis(3-methylphenyl)-6-N-pyridin-3-yl-1,3,5-triazine-2,4,6-triamine;2-N,4-N-bis(3-methylphenyl)-6-N-pyridin-4-yl-1,3,5-triazine-2,4,6-triamine;2-N,4-N-bis(3-methylphenyl)-6-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4,6-triamine;2-N-(2-chlorophenyl)-4-N,6-N-bis(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine
• SMILES: CSc1cccc(Nc2nc(Nc3cccc(C)c3)nc(Nc3cccc(C)c3)n2)c1.Cc1cccc(Nc2nc(Nc3ccc(C(F)(F)F)cc3)nc(Nc3cccc(C)c3)n2)c1.Cc1cccc(Nc2nc(Nc3cccc(C)c3)nc(Nc3ccccc3Cl)n2)c1.Cc1cccc(Nc2nc(Nc3cccnc3)nc(Nc3cccc(C)c3)n2)c1.Cc1cccc(Nc2nc(Nc3ccncc3)nc(Nc3cccc(C)c3)n2)c1
• InChI: InChI=1S/C24H21F3N6.C24H24N6S.C23H21ClN6.2C22H21N7/c1-15-5-3-7-19(13-15)29-22-31-21(28-18-11-9-17(10-12-18)24(25,26)27)32-23(33-22)30-20-8-4-6-16(2)14-20;1-16-7-4-9-18(13-16)25-22-28-23(26-19-10-5-8-17(2)14-19)30-24(29-22)27-20-11-6-12-21(15-20)31-3;1-15-7-5-9-17(13-15)25-21-28-22(26-18-10-6-8-16(2)14-18)30-23(29-21)27-20-12-4-3-11-19(20)24;1-15-6-3-8-17(12-15)24-20-27-21(25-18-9-4-7-16(2)13-18)29-22(28-20)26-19-10-5-11-23-14-19;1-15-5-3-7-18(13-15)25-21-27-20(24-17-9-11-23-12-10-17)28-22(29-21)26-19-8-4-6-16(2)14-19/h3-14H,1-2H3,(H3,28,29,30,31,32,33);4-15H,1-3H3,(H3,25,26,27,28,29,30);3-14H,1-2H3,(H3,25,26,27,28,29,30);3-14H,1-2H3,(H3,24,25,26,27,28,29);3-14H,1-2H3,(H3,23,24,25,26,27,28,29)
• InChIKey: TUNORLYVUHACDG-UHFFFAOYSA-N
• XLogP: 29.78
• TPSA: 399.58 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 33
• Rotatable Bonds: 31
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2062.87
LogP ≤ 5	29.78
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	33

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-bis(3-methylphenyl)-6-N-(3-methylsulfanylphenyl)-1,3,5-triazine-2,4,6-triamine;2-N,4-N-bis(3-methylphenyl)-6-N-pyridin-3-yl-1,3,5-triazine-2,4,6-triamine;2-N,4-N-bis(3-methylphenyl)-6-N-pyridin-4-yl-1,3,5-triazine-2,4,6-triamine;2-N,4-N-bis(3-methylphenyl)-6-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4,6-triamine;2-N-(2-chlorophenyl)-4-N,6-N-bis(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine?

The IUPAC name of 2-N,4-N-bis(3-methylphenyl)-6-N-(3-methylsulfanylphenyl)-1,3,5-triazine-2,4,6-triamine;2-N,4-N-bis(3-methylphenyl)-6-N-pyridin-3-yl-1,3,5-triazine-2,4,6-triamine;2-N,4-N-bis(3-methylphenyl)-6-N-pyridin-4-yl-1,3,5-triazine-2,4,6-triamine;2-N,4-N-bis(3-methylphenyl)-6-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4,6-triamine;2-N-(2-chlorophenyl)-4-N,6-N-bis(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine (CID 160990312) is 2-N,4-N-bis(3-methylphenyl)-6-N-(3-methylsulfanylphenyl)-1,3,5-triazine-2,4,6-triamine;2-N,4-N-bis(3-methylphenyl)-6-N-pyridin-3-yl-1,3,5-triazine-2,4,6-triamine;2-N,4-N-bis(3-methylphenyl)-6-N-pyridin-4-yl-1,3,5-triazine-2,4,6-triamine;2-N,4-N-bis(3-methylphenyl)-6-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4,6-triamine;2-N-(2-chlorophenyl)-4-N,6-N-bis(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine.

What is the SMILES notation for 2-N,4-N-bis(3-methylphenyl)-6-N-(3-methylsulfanylphenyl)-1,3,5-triazine-2,4,6-triamine;2-N,4-N-bis(3-methylphenyl)-6-N-pyridin-3-yl-1,3,5-triazine-2,4,6-triamine;2-N,4-N-bis(3-methylphenyl)-6-N-pyridin-4-yl-1,3,5-triazine-2,4,6-triamine;2-N,4-N-bis(3-methylphenyl)-6-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4,6-triamine;2-N-(2-chlorophenyl)-4-N,6-N-bis(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine?

The canonical SMILES for 2-N,4-N-bis(3-methylphenyl)-6-N-(3-methylsulfanylphenyl)-1,3,5-triazine-2,4,6-triamine;2-N,4-N-bis(3-methylphenyl)-6-N-pyridin-3-yl-1,3,5-triazine-2,4,6-triamine;2-N,4-N-bis(3-methylphenyl)-6-N-pyridin-4-yl-1,3,5-triazine-2,4,6-triamine;2-N,4-N-bis(3-methylphenyl)-6-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4,6-triamine;2-N-(2-chlorophenyl)-4-N,6-N-bis(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine is CSc1cccc(Nc2nc(Nc3cccc(C)c3)nc(Nc3cccc(C)c3)n2)c1.Cc1cccc(Nc2nc(Nc3ccc(C(F)(F)F)cc3)nc(Nc3cccc(C)c3)n2)c1.Cc1cccc(Nc2nc(Nc3cccc(C)c3)nc(Nc3ccccc3Cl)n2)c1.Cc1cccc(Nc2nc(Nc3cccnc3)nc(Nc3cccc(C)c3)n2)c1.Cc1cccc(Nc2nc(Nc3ccncc3)nc(Nc3cccc(C)c3)n2)c1.

What is the InChIKey of 2-N,4-N-bis(3-methylphenyl)-6-N-(3-methylsulfanylphenyl)-1,3,5-triazine-2,4,6-triamine;2-N,4-N-bis(3-methylphenyl)-6-N-pyridin-3-yl-1,3,5-triazine-2,4,6-triamine;2-N,4-N-bis(3-methylphenyl)-6-N-pyridin-4-yl-1,3,5-triazine-2,4,6-triamine;2-N,4-N-bis(3-methylphenyl)-6-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4,6-triamine;2-N-(2-chlorophenyl)-4-N,6-N-bis(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine?

The InChIKey is TUNORLYVUHACDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N6.C24H24N6S.C23H21ClN6.2C22H21N7/c1-15-5-3-7-19(13-15)29-22-31-21(28-18-11-9-17(10-12-18)24(25,26)27)32-23(33-22)30-20-8-4-6-16(2)14-20;1-16-7-4-9-18(13-16)25-22-28-23(26-19-10-5-8-17(2)14-19)30-24(29-22)27-20-11-6-12-21(15-20)31-3;1-15-7-5-9-17(13-15)25-21-28-22(26-18-10-6-8-16(2)14-18)30-23(29-21)27-20-12-4-3-11-19(20)24;1-15-6-3-8-17(12-15)24-20-27-21(25-18-9-4-7-16(2)13-18)29-22(28-20)26-19-10-5-11-23-14-19;1-15-5-3-7-18(13-15)25-21-27-20(24-17-9-11-23-12-10-17)28-22(29-21)26-19-8-4-6-16(2)14-19/h3-14H,1-2H3,(H3,28,29,30,31,32,33);4-15H,1-3H3,(H3,25,26,27,28,29,30);3-14H,1-2H3,(H3,25,26,27,28,29,30);3-14H,1-2H3,(H3,24,25,26,27,28,29);3-14H,1-2H3,(H3,23,24,25,26,27,28,29).

What are the key properties of 2-N,4-N-bis(3-methylphenyl)-6-N-(3-methylsulfanylphenyl)-1,3,5-triazine-2,4,6-triamine;2-N,4-N-bis(3-methylphenyl)-6-N-pyridin-3-yl-1,3,5-triazine-2,4,6-triamine;2-N,4-N-bis(3-methylphenyl)-6-N-pyridin-4-yl-1,3,5-triazine-2,4,6-triamine;2-N,4-N-bis(3-methylphenyl)-6-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4,6-triamine;2-N-(2-chlorophenyl)-4-N,6-N-bis(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine?

2-N,4-N-bis(3-methylphenyl)-6-N-(3-methylsulfanylphenyl)-1,3,5-triazine-2,4,6-triamine;2-N,4-N-bis(3-methylphenyl)-6-N-pyridin-3-yl-1,3,5-triazine-2,4,6-triamine;2-N,4-N-bis(3-methylphenyl)-6-N-pyridin-4-yl-1,3,5-triazine-2,4,6-triamine;2-N,4-N-bis(3-methylphenyl)-6-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4,6-triamine;2-N-(2-chlorophenyl)-4-N,6-N-bis(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 2062.87 g/mol, XLogP of 29.78, 31 rotatable bonds, 15 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N,4-N-bis(3-methylphenyl)-6-N-(3-methylsulfanylphenyl)-1,3,5-triazine-2,4,6-triamine;2-N,4-N-bis(3-methylphenyl)-6-N-pyridin-3-yl-1,3,5-triazine-2,4,6-triamine;2-N,4-N-bis(3-methylphenyl)-6-N-pyridin-4-yl-1,3,5-triazine-2,4,6-triamine;2-N,4-N-bis(3-methylphenyl)-6-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4,6-triamine;2-N-(2-chlorophenyl)-4-N,6-N-bis(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 160990312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).