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;4-N-(4-methoxyphenyl)-2-N-(3-methylphenyl)-6-N-(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine;4-N-(3-methoxyphenyl)-2-N-(2-methylphenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine

C95H91ClN24O4 — CID 158443736

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;4-N-(4-methoxyphenyl)-2-N-(3-methylphenyl)-6-N-(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine;4-N-(3-methoxyphenyl)-2-N-(2-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;4-N-(4-methoxyphenyl)-2-N-(3-methylphenyl)-6-N-(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine;4-N-(3-methoxyphenyl)-2-N-(2-methylphenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 158443736) has the molecular formula C95H91ClN24O4 and a molecular weight of 1668.39 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;4-N-(4-methoxyphenyl)-2-N-(3-methylphenyl)-6-N-(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine;4-N-(3-methoxyphenyl)-2-N-(2-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;4-N-(4-methoxyphenyl)-2-N-(3-methylphenyl)-6-N-(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine;4-N-(3-methoxyphenyl)-2-N-(2-methylphenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine
• PubChem CID: 158443736
• Molecular Formula: C95H91ClN24O4
• Molecular Weight: 1668.39 g/mol
• Exact Mass: 1666.73
• 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;4-N-(4-methoxyphenyl)-2-N-(3-methylphenyl)-6-N-(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine;4-N-(3-methoxyphenyl)-2-N-(2-methylphenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine
• SMILES: CCOC(=O)c1ccc(Nc2nc(Nc3ccccc3)nc(Nc3cccc(C)c3)n2)cc1.COc1ccc(Nc2nc(Nc3ccc(C)cc3)nc(Nc3cccc(C)c3)n2)cc1.COc1cccc(Nc2nc(Nc3ccccc3)nc(Nc3ccccc3C)n2)c1.Cc1ccc(Nc2nc(Nc3cccc(C)c3)nc(Nc3ccccc3Cl)n2)cc1
• InChI: InChI=1S/C25H24N6O2.C24H24N6O.C23H21ClN6.C23H22N6O/c1-3-33-22(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;1-16-7-9-18(10-8-16)25-22-28-23(26-19-11-13-21(31-3)14-12-19)30-24(29-22)27-20-6-4-5-17(2)15-20;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;1-16-9-6-7-14-20(16)26-23-28-21(24-17-10-4-3-5-11-17)27-22(29-23)25-18-12-8-13-19(15-18)30-2/h4-16H,3H2,1-2H3,(H3,26,27,28,29,30,31);4-15H,1-3H3,(H3,25,26,27,28,29,30);3-14H,1-2H3,(H3,25,26,27,28,29,30);3-15H,1-2H3,(H3,24,25,26,27,28,29)
• InChIKey: HDDBWJITYGDOAM-UHFFFAOYSA-N
• XLogP: 23.11
• TPSA: 343.80 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 28
• Rotatable Bonds: 28
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1668.39
LogP ≤ 5	23.11
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;4-N-(4-methoxyphenyl)-2-N-(3-methylphenyl)-6-N-(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine;4-N-(3-methoxyphenyl)-2-N-(2-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;4-N-(4-methoxyphenyl)-2-N-(3-methylphenyl)-6-N-(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine;4-N-(3-methoxyphenyl)-2-N-(2-methylphenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine (CID 158443736) 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;4-N-(4-methoxyphenyl)-2-N-(3-methylphenyl)-6-N-(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine;4-N-(3-methoxyphenyl)-2-N-(2-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;4-N-(4-methoxyphenyl)-2-N-(3-methylphenyl)-6-N-(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine;4-N-(3-methoxyphenyl)-2-N-(2-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;4-N-(4-methoxyphenyl)-2-N-(3-methylphenyl)-6-N-(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine;4-N-(3-methoxyphenyl)-2-N-(2-methylphenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine is CCOC(=O)c1ccc(Nc2nc(Nc3ccccc3)nc(Nc3cccc(C)c3)n2)cc1.COc1ccc(Nc2nc(Nc3ccc(C)cc3)nc(Nc3cccc(C)c3)n2)cc1.COc1cccc(Nc2nc(Nc3ccccc3)nc(Nc3ccccc3C)n2)c1.Cc1ccc(Nc2nc(Nc3cccc(C)c3)nc(Nc3ccccc3Cl)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;4-N-(4-methoxyphenyl)-2-N-(3-methylphenyl)-6-N-(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine;4-N-(3-methoxyphenyl)-2-N-(2-methylphenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine?

The InChIKey is HDDBWJITYGDOAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O2.C24H24N6O.C23H21ClN6.C23H22N6O/c1-3-33-22(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;1-16-7-9-18(10-8-16)25-22-28-23(26-19-11-13-21(31-3)14-12-19)30-24(29-22)27-20-6-4-5-17(2)15-20;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;1-16-9-6-7-14-20(16)26-23-28-21(24-17-10-4-3-5-11-17)27-22(29-23)25-18-12-8-13-19(15-18)30-2/h4-16H,3H2,1-2H3,(H3,26,27,28,29,30,31);4-15H,1-3H3,(H3,25,26,27,28,29,30);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;4-N-(4-methoxyphenyl)-2-N-(3-methylphenyl)-6-N-(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine;4-N-(3-methoxyphenyl)-2-N-(2-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;4-N-(4-methoxyphenyl)-2-N-(3-methylphenyl)-6-N-(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine;4-N-(3-methoxyphenyl)-2-N-(2-methylphenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 1668.39 g/mol, XLogP of 23.11, 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;4-N-(4-methoxyphenyl)-2-N-(3-methylphenyl)-6-N-(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine;4-N-(3-methoxyphenyl)-2-N-(2-methylphenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 158443736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).