2-N-(2-chlorophenyl)-4-N-(3-methylphenyl)-6-N-(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine;ethyl 4-[[4-anilino-6-(3-methylanilino)-1,3,5-triazin-2-yl]amino]benzoate;ethyl 4-[[4-(3-methylanilino)-6-(4-methylanilino)-1,3,5-triazin-2-yl]amino]benzoate;2-N-(3-methylphenyl)-4-N-(4-methylphenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine

C97H93ClN24O4 — CID 158014620

About 2-N-(2-chlorophenyl)-4-N-(3-methylphenyl)-6-N-(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine;ethyl 4-[[4-anilino-6-(3-methylanilino)-1,3,5-triazin-2-yl]amino]benzoate;ethyl 4-[[4-(3-methylanilino)-6-(4-methylanilino)-1,3,5-triazin-2-yl]amino]benzoate;2-N-(3-methylphenyl)-4-N-(4-methylphenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine

2-N-(2-chlorophenyl)-4-N-(3-methylphenyl)-6-N-(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine;ethyl 4-[[4-anilino-6-(3-methylanilino)-1,3,5-triazin-2-yl]amino]benzoate;ethyl 4-[[4-(3-methylanilino)-6-(4-methylanilino)-1,3,5-triazin-2-yl]amino]benzoate;2-N-(3-methylphenyl)-4-N-(4-methylphenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 158014620) has the molecular formula C97H93ClN24O4 and a molecular weight of 1694.43 g/mol. Its IUPAC name is 2-N-(2-chlorophenyl)-4-N-(3-methylphenyl)-6-N-(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine;ethyl 4-[[4-anilino-6-(3-methylanilino)-1,3,5-triazin-2-yl]amino]benzoate;ethyl 4-[[4-(3-methylanilino)-6-(4-methylanilino)-1,3,5-triazin-2-yl]amino]benzoate;2-N-(3-methylphenyl)-4-N-(4-methylphenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

• Compound Name: 2-N-(2-chlorophenyl)-4-N-(3-methylphenyl)-6-N-(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine;ethyl 4-[[4-anilino-6-(3-methylanilino)-1,3,5-triazin-2-yl]amino]benzoate;ethyl 4-[[4-(3-methylanilino)-6-(4-methylanilino)-1,3,5-triazin-2-yl]amino]benzoate;2-N-(3-methylphenyl)-4-N-(4-methylphenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine
• PubChem CID: 158014620
• Molecular Formula: C97H93ClN24O4
• Molecular Weight: 1694.43 g/mol
• Exact Mass: 1692.75
• IUPAC Name: 2-N-(2-chlorophenyl)-4-N-(3-methylphenyl)-6-N-(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine;ethyl 4-[[4-anilino-6-(3-methylanilino)-1,3,5-triazin-2-yl]amino]benzoate;ethyl 4-[[4-(3-methylanilino)-6-(4-methylanilino)-1,3,5-triazin-2-yl]amino]benzoate;2-N-(3-methylphenyl)-4-N-(4-methylphenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine
• SMILES: CCOC(=O)c1ccc(Nc2nc(Nc3ccc(C)cc3)nc(Nc3cccc(C)c3)n2)cc1.CCOC(=O)c1ccc(Nc2nc(Nc3ccccc3)nc(Nc3cccc(C)c3)n2)cc1.Cc1ccc(Nc2nc(Nc3cccc(C)c3)nc(Nc3ccccc3Cl)n2)cc1.Cc1ccc(Nc2nc(Nc3ccccc3)nc(Nc3cccc(C)c3)n2)cc1
• InChI: InChI=1S/C26H26N6O2.C25H24N6O2.C23H21ClN6.C23H22N6/c1-4-34-23(33)19-10-14-21(15-11-19)28-25-30-24(27-20-12-8-17(2)9-13-20)31-26(32-25)29-22-7-5-6-18(3)16-22;1-3-33-22(32)18-12-14-20(15-13-18)27-24-29-23(26-19-9-5-4-6-10-19)30-25(31-24)28-21-11-7-8-17(2)16-21;1-15-10-12-17(13-11-15)25-21-28-22(26-18-7-5-6-16(2)14-18)30-23(29-21)27-20-9-4-3-8-19(20)24;1-16-11-13-19(14-12-16)25-22-27-21(24-18-8-4-3-5-9-18)28-23(29-22)26-20-10-6-7-17(2)15-20/h5-16H,4H2,1-3H3,(H3,27,28,29,30,31,32);4-16H,3H2,1-2H3,(H3,26,27,28,29,30,31);3-14H,1-2H3,(H3,25,26,27,28,29,30);3-15H,1-2H3,(H3,24,25,26,27,28,29)
• InChIKey: FFHPNSHIEGFAGZ-UHFFFAOYSA-N
• XLogP: 23.58
• TPSA: 351.64 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 28
• Rotatable Bonds: 28
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1694.43
LogP ≤ 5	23.58
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-chlorophenyl)-4-N-(3-methylphenyl)-6-N-(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine;ethyl 4-[[4-anilino-6-(3-methylanilino)-1,3,5-triazin-2-yl]amino]benzoate;ethyl 4-[[4-(3-methylanilino)-6-(4-methylanilino)-1,3,5-triazin-2-yl]amino]benzoate;2-N-(3-methylphenyl)-4-N-(4-methylphenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine?

The IUPAC name of 2-N-(2-chlorophenyl)-4-N-(3-methylphenyl)-6-N-(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine;ethyl 4-[[4-anilino-6-(3-methylanilino)-1,3,5-triazin-2-yl]amino]benzoate;ethyl 4-[[4-(3-methylanilino)-6-(4-methylanilino)-1,3,5-triazin-2-yl]amino]benzoate;2-N-(3-methylphenyl)-4-N-(4-methylphenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine (CID 158014620) is 2-N-(2-chlorophenyl)-4-N-(3-methylphenyl)-6-N-(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine;ethyl 4-[[4-anilino-6-(3-methylanilino)-1,3,5-triazin-2-yl]amino]benzoate;ethyl 4-[[4-(3-methylanilino)-6-(4-methylanilino)-1,3,5-triazin-2-yl]amino]benzoate;2-N-(3-methylphenyl)-4-N-(4-methylphenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine.

What is the SMILES notation for 2-N-(2-chlorophenyl)-4-N-(3-methylphenyl)-6-N-(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine;ethyl 4-[[4-anilino-6-(3-methylanilino)-1,3,5-triazin-2-yl]amino]benzoate;ethyl 4-[[4-(3-methylanilino)-6-(4-methylanilino)-1,3,5-triazin-2-yl]amino]benzoate;2-N-(3-methylphenyl)-4-N-(4-methylphenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine?

The canonical SMILES for 2-N-(2-chlorophenyl)-4-N-(3-methylphenyl)-6-N-(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine;ethyl 4-[[4-anilino-6-(3-methylanilino)-1,3,5-triazin-2-yl]amino]benzoate;ethyl 4-[[4-(3-methylanilino)-6-(4-methylanilino)-1,3,5-triazin-2-yl]amino]benzoate;2-N-(3-methylphenyl)-4-N-(4-methylphenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine is CCOC(=O)c1ccc(Nc2nc(Nc3ccc(C)cc3)nc(Nc3cccc(C)c3)n2)cc1.CCOC(=O)c1ccc(Nc2nc(Nc3ccccc3)nc(Nc3cccc(C)c3)n2)cc1.Cc1ccc(Nc2nc(Nc3cccc(C)c3)nc(Nc3ccccc3Cl)n2)cc1.Cc1ccc(Nc2nc(Nc3ccccc3)nc(Nc3cccc(C)c3)n2)cc1.

What is the InChIKey of 2-N-(2-chlorophenyl)-4-N-(3-methylphenyl)-6-N-(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine;ethyl 4-[[4-anilino-6-(3-methylanilino)-1,3,5-triazin-2-yl]amino]benzoate;ethyl 4-[[4-(3-methylanilino)-6-(4-methylanilino)-1,3,5-triazin-2-yl]amino]benzoate;2-N-(3-methylphenyl)-4-N-(4-methylphenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine?

The InChIKey is FFHPNSHIEGFAGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N6O2.C25H24N6O2.C23H21ClN6.C23H22N6/c1-4-34-23(33)19-10-14-21(15-11-19)28-25-30-24(27-20-12-8-17(2)9-13-20)31-26(32-25)29-22-7-5-6-18(3)16-22;1-3-33-22(32)18-12-14-20(15-13-18)27-24-29-23(26-19-9-5-4-6-10-19)30-25(31-24)28-21-11-7-8-17(2)16-21;1-15-10-12-17(13-11-15)25-21-28-22(26-18-7-5-6-16(2)14-18)30-23(29-21)27-20-9-4-3-8-19(20)24;1-16-11-13-19(14-12-16)25-22-27-21(24-18-8-4-3-5-9-18)28-23(29-22)26-20-10-6-7-17(2)15-20/h5-16H,4H2,1-3H3,(H3,27,28,29,30,31,32);4-16H,3H2,1-2H3,(H3,26,27,28,29,30,31);3-14H,1-2H3,(H3,25,26,27,28,29,30);3-15H,1-2H3,(H3,24,25,26,27,28,29).

What are the key properties of 2-N-(2-chlorophenyl)-4-N-(3-methylphenyl)-6-N-(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine;ethyl 4-[[4-anilino-6-(3-methylanilino)-1,3,5-triazin-2-yl]amino]benzoate;ethyl 4-[[4-(3-methylanilino)-6-(4-methylanilino)-1,3,5-triazin-2-yl]amino]benzoate;2-N-(3-methylphenyl)-4-N-(4-methylphenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine?

2-N-(2-chlorophenyl)-4-N-(3-methylphenyl)-6-N-(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine;ethyl 4-[[4-anilino-6-(3-methylanilino)-1,3,5-triazin-2-yl]amino]benzoate;ethyl 4-[[4-(3-methylanilino)-6-(4-methylanilino)-1,3,5-triazin-2-yl]amino]benzoate;2-N-(3-methylphenyl)-4-N-(4-methylphenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 1694.43 g/mol, XLogP of 23.58, 28 rotatable bonds, 12 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N-(2-chlorophenyl)-4-N-(3-methylphenyl)-6-N-(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine;ethyl 4-[[4-anilino-6-(3-methylanilino)-1,3,5-triazin-2-yl]amino]benzoate;ethyl 4-[[4-(3-methylanilino)-6-(4-methylanilino)-1,3,5-triazin-2-yl]amino]benzoate;2-N-(3-methylphenyl)-4-N-(4-methylphenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 158014620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).