4,6-bis[(3-methylphenyl)methyl]-N-(3-methylsulfanylphenyl)-1,3,5-triazin-2-amine;4,6-bis[(3-methylphenyl)methyl]-N-(3-propan-2-ylphenyl)-1,3,5-triazin-2-amine;4,6-bis[(3-methylphenyl)methyl]-N-pyridin-3-yl-1,3,5-triazin-2-amine;4,6-bis[(3-methylphenyl)methyl]-N-pyridin-4-yl-1,3,5-triazin-2-amine;4,6-bis[(3-methylphenyl)methyl]-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine

C128H125F3N22S — CID 159324875

About 4,6-bis[(3-methylphenyl)methyl]-N-(3-methylsulfanylphenyl)-1,3,5-triazin-2-amine;4,6-bis[(3-methylphenyl)methyl]-N-(3-propan-2-ylphenyl)-1,3,5-triazin-2-amine;4,6-bis[(3-methylphenyl)methyl]-N-pyridin-3-yl-1,3,5-triazin-2-amine;4,6-bis[(3-methylphenyl)methyl]-N-pyridin-4-yl-1,3,5-triazin-2-amine;4,6-bis[(3-methylphenyl)methyl]-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine

4,6-bis[(3-methylphenyl)methyl]-N-(3-methylsulfanylphenyl)-1,3,5-triazin-2-amine;4,6-bis[(3-methylphenyl)methyl]-N-(3-propan-2-ylphenyl)-1,3,5-triazin-2-amine;4,6-bis[(3-methylphenyl)methyl]-N-pyridin-3-yl-1,3,5-triazin-2-amine;4,6-bis[(3-methylphenyl)methyl]-N-pyridin-4-yl-1,3,5-triazin-2-amine;4,6-bis[(3-methylphenyl)methyl]-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine (PubChem CID 159324875) has the molecular formula C128H125F3N22S and a molecular weight of 2060.62 g/mol. Its IUPAC name is 4,6-bis[(3-methylphenyl)methyl]-N-(3-methylsulfanylphenyl)-1,3,5-triazin-2-amine;4,6-bis[(3-methylphenyl)methyl]-N-(3-propan-2-ylphenyl)-1,3,5-triazin-2-amine;4,6-bis[(3-methylphenyl)methyl]-N-pyridin-3-yl-1,3,5-triazin-2-amine;4,6-bis[(3-methylphenyl)methyl]-N-pyridin-4-yl-1,3,5-triazin-2-amine;4,6-bis[(3-methylphenyl)methyl]-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine.

Molecular Properties

• Compound Name: 4,6-bis[(3-methylphenyl)methyl]-N-(3-methylsulfanylphenyl)-1,3,5-triazin-2-amine;4,6-bis[(3-methylphenyl)methyl]-N-(3-propan-2-ylphenyl)-1,3,5-triazin-2-amine;4,6-bis[(3-methylphenyl)methyl]-N-pyridin-3-yl-1,3,5-triazin-2-amine;4,6-bis[(3-methylphenyl)methyl]-N-pyridin-4-yl-1,3,5-triazin-2-amine;4,6-bis[(3-methylphenyl)methyl]-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine
• PubChem CID: 159324875
• Molecular Formula: C128H125F3N22S
• Molecular Weight: 2060.62 g/mol
• Exact Mass: 2059.01
• IUPAC Name: 4,6-bis[(3-methylphenyl)methyl]-N-(3-methylsulfanylphenyl)-1,3,5-triazin-2-amine;4,6-bis[(3-methylphenyl)methyl]-N-(3-propan-2-ylphenyl)-1,3,5-triazin-2-amine;4,6-bis[(3-methylphenyl)methyl]-N-pyridin-3-yl-1,3,5-triazin-2-amine;4,6-bis[(3-methylphenyl)methyl]-N-pyridin-4-yl-1,3,5-triazin-2-amine;4,6-bis[(3-methylphenyl)methyl]-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine
• SMILES: CSc1cccc(Nc2nc(Cc3cccc(C)c3)nc(Cc3cccc(C)c3)n2)c1.Cc1cccc(Cc2nc(Cc3cccc(C)c3)nc(Nc3ccc(C(F)(F)F)cc3)n2)c1.Cc1cccc(Cc2nc(Cc3cccc(C)c3)nc(Nc3cccc(C(C)C)c3)n2)c1.Cc1cccc(Cc2nc(Cc3cccc(C)c3)nc(Nc3cccnc3)n2)c1.Cc1cccc(Cc2nc(Cc3cccc(C)c3)nc(Nc3ccncc3)n2)c1
• InChI: InChI=1S/C28H30N4.C26H23F3N4.C26H26N4S.2C24H23N5/c1-19(2)24-12-7-13-25(18-24)29-28-31-26(16-22-10-5-8-20(3)14-22)30-27(32-28)17-23-11-6-9-21(4)15-23;1-17-5-3-7-19(13-17)15-23-31-24(16-20-8-4-6-18(2)14-20)33-25(32-23)30-22-11-9-21(10-12-22)26(27,28)29;1-18-7-4-9-20(13-18)15-24-28-25(16-21-10-5-8-19(2)14-21)30-26(29-24)27-22-11-6-12-23(17-22)31-3;1-17-6-3-8-19(12-17)14-22-27-23(15-20-9-4-7-18(2)13-20)29-24(28-22)26-21-10-5-11-25-16-21;1-17-5-3-7-19(13-17)15-22-27-23(16-20-8-4-6-18(2)14-20)29-24(28-22)26-21-9-11-25-12-10-21/h5-15,18-19H,16-17H2,1-4H3,(H,29,30,31,32);3-14H,15-16H2,1-2H3,(H,30,31,32,33);4-14,17H,15-16H2,1-3H3,(H,27,28,29,30);3-13,16H,14-15H2,1-2H3,(H,26,27,28,29);3-14H,15-16H2,1-2H3,(H,25,26,27,28,29)
• InChIKey: LEFQIZKVPKWBSE-UHFFFAOYSA-N
• XLogP: 28.72
• TPSA: 279.28 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 23
• Rotatable Bonds: 32
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2060.62
LogP ≤ 5	28.72
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of 4,6-bis[(3-methylphenyl)methyl]-N-(3-methylsulfanylphenyl)-1,3,5-triazin-2-amine;4,6-bis[(3-methylphenyl)methyl]-N-(3-propan-2-ylphenyl)-1,3,5-triazin-2-amine;4,6-bis[(3-methylphenyl)methyl]-N-pyridin-3-yl-1,3,5-triazin-2-amine;4,6-bis[(3-methylphenyl)methyl]-N-pyridin-4-yl-1,3,5-triazin-2-amine;4,6-bis[(3-methylphenyl)methyl]-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine?

The IUPAC name of 4,6-bis[(3-methylphenyl)methyl]-N-(3-methylsulfanylphenyl)-1,3,5-triazin-2-amine;4,6-bis[(3-methylphenyl)methyl]-N-(3-propan-2-ylphenyl)-1,3,5-triazin-2-amine;4,6-bis[(3-methylphenyl)methyl]-N-pyridin-3-yl-1,3,5-triazin-2-amine;4,6-bis[(3-methylphenyl)methyl]-N-pyridin-4-yl-1,3,5-triazin-2-amine;4,6-bis[(3-methylphenyl)methyl]-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine (CID 159324875) is 4,6-bis[(3-methylphenyl)methyl]-N-(3-methylsulfanylphenyl)-1,3,5-triazin-2-amine;4,6-bis[(3-methylphenyl)methyl]-N-(3-propan-2-ylphenyl)-1,3,5-triazin-2-amine;4,6-bis[(3-methylphenyl)methyl]-N-pyridin-3-yl-1,3,5-triazin-2-amine;4,6-bis[(3-methylphenyl)methyl]-N-pyridin-4-yl-1,3,5-triazin-2-amine;4,6-bis[(3-methylphenyl)methyl]-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine.

What is the SMILES notation for 4,6-bis[(3-methylphenyl)methyl]-N-(3-methylsulfanylphenyl)-1,3,5-triazin-2-amine;4,6-bis[(3-methylphenyl)methyl]-N-(3-propan-2-ylphenyl)-1,3,5-triazin-2-amine;4,6-bis[(3-methylphenyl)methyl]-N-pyridin-3-yl-1,3,5-triazin-2-amine;4,6-bis[(3-methylphenyl)methyl]-N-pyridin-4-yl-1,3,5-triazin-2-amine;4,6-bis[(3-methylphenyl)methyl]-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine?

The canonical SMILES for 4,6-bis[(3-methylphenyl)methyl]-N-(3-methylsulfanylphenyl)-1,3,5-triazin-2-amine;4,6-bis[(3-methylphenyl)methyl]-N-(3-propan-2-ylphenyl)-1,3,5-triazin-2-amine;4,6-bis[(3-methylphenyl)methyl]-N-pyridin-3-yl-1,3,5-triazin-2-amine;4,6-bis[(3-methylphenyl)methyl]-N-pyridin-4-yl-1,3,5-triazin-2-amine;4,6-bis[(3-methylphenyl)methyl]-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine is CSc1cccc(Nc2nc(Cc3cccc(C)c3)nc(Cc3cccc(C)c3)n2)c1.Cc1cccc(Cc2nc(Cc3cccc(C)c3)nc(Nc3ccc(C(F)(F)F)cc3)n2)c1.Cc1cccc(Cc2nc(Cc3cccc(C)c3)nc(Nc3cccc(C(C)C)c3)n2)c1.Cc1cccc(Cc2nc(Cc3cccc(C)c3)nc(Nc3cccnc3)n2)c1.Cc1cccc(Cc2nc(Cc3cccc(C)c3)nc(Nc3ccncc3)n2)c1.

What is the InChIKey of 4,6-bis[(3-methylphenyl)methyl]-N-(3-methylsulfanylphenyl)-1,3,5-triazin-2-amine;4,6-bis[(3-methylphenyl)methyl]-N-(3-propan-2-ylphenyl)-1,3,5-triazin-2-amine;4,6-bis[(3-methylphenyl)methyl]-N-pyridin-3-yl-1,3,5-triazin-2-amine;4,6-bis[(3-methylphenyl)methyl]-N-pyridin-4-yl-1,3,5-triazin-2-amine;4,6-bis[(3-methylphenyl)methyl]-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine?

The InChIKey is LEFQIZKVPKWBSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4.C26H23F3N4.C26H26N4S.2C24H23N5/c1-19(2)24-12-7-13-25(18-24)29-28-31-26(16-22-10-5-8-20(3)14-22)30-27(32-28)17-23-11-6-9-21(4)15-23;1-17-5-3-7-19(13-17)15-23-31-24(16-20-8-4-6-18(2)14-20)33-25(32-23)30-22-11-9-21(10-12-22)26(27,28)29;1-18-7-4-9-20(13-18)15-24-28-25(16-21-10-5-8-19(2)14-21)30-26(29-24)27-22-11-6-12-23(17-22)31-3;1-17-6-3-8-19(12-17)14-22-27-23(15-20-9-4-7-18(2)13-20)29-24(28-22)26-21-10-5-11-25-16-21;1-17-5-3-7-19(13-17)15-22-27-23(16-20-8-4-6-18(2)14-20)29-24(28-22)26-21-9-11-25-12-10-21/h5-15,18-19H,16-17H2,1-4H3,(H,29,30,31,32);3-14H,15-16H2,1-2H3,(H,30,31,32,33);4-14,17H,15-16H2,1-3H3,(H,27,28,29,30);3-13,16H,14-15H2,1-2H3,(H,26,27,28,29);3-14H,15-16H2,1-2H3,(H,25,26,27,28,29).

What are the key properties of 4,6-bis[(3-methylphenyl)methyl]-N-(3-methylsulfanylphenyl)-1,3,5-triazin-2-amine;4,6-bis[(3-methylphenyl)methyl]-N-(3-propan-2-ylphenyl)-1,3,5-triazin-2-amine;4,6-bis[(3-methylphenyl)methyl]-N-pyridin-3-yl-1,3,5-triazin-2-amine;4,6-bis[(3-methylphenyl)methyl]-N-pyridin-4-yl-1,3,5-triazin-2-amine;4,6-bis[(3-methylphenyl)methyl]-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine?

4,6-bis[(3-methylphenyl)methyl]-N-(3-methylsulfanylphenyl)-1,3,5-triazin-2-amine;4,6-bis[(3-methylphenyl)methyl]-N-(3-propan-2-ylphenyl)-1,3,5-triazin-2-amine;4,6-bis[(3-methylphenyl)methyl]-N-pyridin-3-yl-1,3,5-triazin-2-amine;4,6-bis[(3-methylphenyl)methyl]-N-pyridin-4-yl-1,3,5-triazin-2-amine;4,6-bis[(3-methylphenyl)methyl]-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine has a molecular weight of 2060.62 g/mol, XLogP of 28.72, 32 rotatable bonds, 5 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 4,6-bis[(3-methylphenyl)methyl]-N-(3-methylsulfanylphenyl)-1,3,5-triazin-2-amine;4,6-bis[(3-methylphenyl)methyl]-N-(3-propan-2-ylphenyl)-1,3,5-triazin-2-amine;4,6-bis[(3-methylphenyl)methyl]-N-pyridin-3-yl-1,3,5-triazin-2-amine;4,6-bis[(3-methylphenyl)methyl]-N-pyridin-4-yl-1,3,5-triazin-2-amine;4,6-bis[(3-methylphenyl)methyl]-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 159324875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).