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

C119H114Cl2N30O3 — CID 158573505

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

2-N-(2-chlorophenyl)-4-N-(2-ethylphenyl)-6-N-(3-methylphenyl)-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;2-N-(2-methylphenyl)-4-N-(3-methylphenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 158573505) has the molecular formula C119H114Cl2N30O3 and a molecular weight of 2083.33 g/mol. Its IUPAC name is 2-N-(2-chlorophenyl)-4-N-(2-ethylphenyl)-6-N-(3-methylphenyl)-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;2-N-(2-methylphenyl)-4-N-(3-methylphenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

• Compound Name: 2-N-(2-chlorophenyl)-4-N-(2-ethylphenyl)-6-N-(3-methylphenyl)-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;2-N-(2-methylphenyl)-4-N-(3-methylphenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine
• PubChem CID: 158573505
• Molecular Formula: C119H114Cl2N30O3
• Molecular Weight: 2083.33 g/mol
• Exact Mass: 2080.91
• IUPAC Name: 2-N-(2-chlorophenyl)-4-N-(2-ethylphenyl)-6-N-(3-methylphenyl)-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;2-N-(2-methylphenyl)-4-N-(3-methylphenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine
• SMILES: CCOC(=O)c1ccc(Nc2nc(Nc3ccccc3)nc(Nc3cccc(C)c3)n2)cc1.CCc1ccccc1Nc1nc(Nc2cccc(C)c2)nc(Nc2ccccc2Cl)n1.COc1ccc(Nc2nc(Nc3ccc(C)cc3)nc(Nc3cccc(C)c3)n2)cc1.Cc1ccc(Nc2nc(Nc3cccc(C)c3)nc(Nc3ccccc3Cl)n2)cc1.Cc1cccc(Nc2nc(Nc3ccccc3)nc(Nc3ccccc3C)n2)c1
• InChI: InChI=1S/C25H24N6O2.C24H23ClN6.C24H24N6O.C23H21ClN6.C23H22N6/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;1-3-17-10-4-6-13-20(17)27-23-29-22(26-18-11-8-9-16(2)15-18)30-24(31-23)28-21-14-7-5-12-19(21)25;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;1-16-9-8-13-19(15-16)25-22-27-21(24-18-11-4-3-5-12-18)28-23(29-22)26-20-14-7-6-10-17(20)2/h4-16H,3H2,1-2H3,(H3,26,27,28,29,30,31);4-15H,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: HSJIZGHAMLMLGT-UHFFFAOYSA-N
• XLogP: 30.03
• TPSA: 409.33 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 33
• Rotatable Bonds: 34
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2083.33
LogP ≤ 5	30.03
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	33

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-chlorophenyl)-4-N-(2-ethylphenyl)-6-N-(3-methylphenyl)-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;2-N-(2-methylphenyl)-4-N-(3-methylphenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine?

The IUPAC name of 2-N-(2-chlorophenyl)-4-N-(2-ethylphenyl)-6-N-(3-methylphenyl)-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;2-N-(2-methylphenyl)-4-N-(3-methylphenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine (CID 158573505) is 2-N-(2-chlorophenyl)-4-N-(2-ethylphenyl)-6-N-(3-methylphenyl)-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;2-N-(2-methylphenyl)-4-N-(3-methylphenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine.

What is the SMILES notation for 2-N-(2-chlorophenyl)-4-N-(2-ethylphenyl)-6-N-(3-methylphenyl)-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;2-N-(2-methylphenyl)-4-N-(3-methylphenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine?

The canonical SMILES for 2-N-(2-chlorophenyl)-4-N-(2-ethylphenyl)-6-N-(3-methylphenyl)-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;2-N-(2-methylphenyl)-4-N-(3-methylphenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine is CCOC(=O)c1ccc(Nc2nc(Nc3ccccc3)nc(Nc3cccc(C)c3)n2)cc1.CCc1ccccc1Nc1nc(Nc2cccc(C)c2)nc(Nc2ccccc2Cl)n1.COc1ccc(Nc2nc(Nc3ccc(C)cc3)nc(Nc3cccc(C)c3)n2)cc1.Cc1ccc(Nc2nc(Nc3cccc(C)c3)nc(Nc3ccccc3Cl)n2)cc1.Cc1cccc(Nc2nc(Nc3ccccc3)nc(Nc3ccccc3C)n2)c1.

What is the InChIKey of 2-N-(2-chlorophenyl)-4-N-(2-ethylphenyl)-6-N-(3-methylphenyl)-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;2-N-(2-methylphenyl)-4-N-(3-methylphenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine?

The InChIKey is HSJIZGHAMLMLGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O2.C24H23ClN6.C24H24N6O.C23H21ClN6.C23H22N6/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;1-3-17-10-4-6-13-20(17)27-23-29-22(26-18-11-8-9-16(2)15-18)30-24(31-23)28-21-14-7-5-12-19(21)25;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;1-16-9-8-13-19(15-16)25-22-27-21(24-18-11-4-3-5-12-18)28-23(29-22)26-20-14-7-6-10-17(20)2/h4-16H,3H2,1-2H3,(H3,26,27,28,29,30,31);4-15H,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-(2-ethylphenyl)-6-N-(3-methylphenyl)-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;2-N-(2-methylphenyl)-4-N-(3-methylphenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine?

2-N-(2-chlorophenyl)-4-N-(2-ethylphenyl)-6-N-(3-methylphenyl)-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;2-N-(2-methylphenyl)-4-N-(3-methylphenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 2083.33 g/mol, XLogP of 30.03, 34 rotatable bonds, 15 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N-(2-chlorophenyl)-4-N-(2-ethylphenyl)-6-N-(3-methylphenyl)-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;2-N-(2-methylphenyl)-4-N-(3-methylphenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 158573505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).