4-N,6-N-bis(4-methoxyphenyl)-2-N-(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine;2-N-(2,3-dimethylphenyl)-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine;ethyl 4-[[4-(4-ethoxycarbonylanilino)-6-(2-ethylanilino)-1,3,5-triazin-2-yl]amino]benzoate;ethyl 4-[[4-(4-ethoxycarbonylanilino)-6-(3-methylanilino)-1,3,5-triazin-2-yl]amino]benzoate;2-N-(4-methoxyphenyl)-4-N,6-N-bis(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine

C128H128N30O11 — CID 158344734

About 4-N,6-N-bis(4-methoxyphenyl)-2-N-(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine;2-N-(2,3-dimethylphenyl)-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine;ethyl 4-[[4-(4-ethoxycarbonylanilino)-6-(2-ethylanilino)-1,3,5-triazin-2-yl]amino]benzoate;ethyl 4-[[4-(4-ethoxycarbonylanilino)-6-(3-methylanilino)-1,3,5-triazin-2-yl]amino]benzoate;2-N-(4-methoxyphenyl)-4-N,6-N-bis(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine

4-N,6-N-bis(4-methoxyphenyl)-2-N-(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine;2-N-(2,3-dimethylphenyl)-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine;ethyl 4-[[4-(4-ethoxycarbonylanilino)-6-(2-ethylanilino)-1,3,5-triazin-2-yl]amino]benzoate;ethyl 4-[[4-(4-ethoxycarbonylanilino)-6-(3-methylanilino)-1,3,5-triazin-2-yl]amino]benzoate;2-N-(4-methoxyphenyl)-4-N,6-N-bis(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 158344734) has the molecular formula C128H128N30O11 and a molecular weight of 2262.63 g/mol. Its IUPAC name is 4-N,6-N-bis(4-methoxyphenyl)-2-N-(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine;2-N-(2,3-dimethylphenyl)-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine;ethyl 4-[[4-(4-ethoxycarbonylanilino)-6-(2-ethylanilino)-1,3,5-triazin-2-yl]amino]benzoate;ethyl 4-[[4-(4-ethoxycarbonylanilino)-6-(3-methylanilino)-1,3,5-triazin-2-yl]amino]benzoate;2-N-(4-methoxyphenyl)-4-N,6-N-bis(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

• Compound Name: 4-N,6-N-bis(4-methoxyphenyl)-2-N-(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine;2-N-(2,3-dimethylphenyl)-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine;ethyl 4-[[4-(4-ethoxycarbonylanilino)-6-(2-ethylanilino)-1,3,5-triazin-2-yl]amino]benzoate;ethyl 4-[[4-(4-ethoxycarbonylanilino)-6-(3-methylanilino)-1,3,5-triazin-2-yl]amino]benzoate;2-N-(4-methoxyphenyl)-4-N,6-N-bis(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine
• PubChem CID: 158344734
• Molecular Formula: C128H128N30O11
• Molecular Weight: 2262.63 g/mol
• Exact Mass: 2261.04
• IUPAC Name: 4-N,6-N-bis(4-methoxyphenyl)-2-N-(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine;2-N-(2,3-dimethylphenyl)-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine;ethyl 4-[[4-(4-ethoxycarbonylanilino)-6-(2-ethylanilino)-1,3,5-triazin-2-yl]amino]benzoate;ethyl 4-[[4-(4-ethoxycarbonylanilino)-6-(3-methylanilino)-1,3,5-triazin-2-yl]amino]benzoate;2-N-(4-methoxyphenyl)-4-N,6-N-bis(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine
• SMILES: CCOC(=O)c1ccc(Nc2nc(Nc3ccc(C(=O)OCC)cc3)nc(Nc3cccc(C)c3)n2)cc1.CCOC(=O)c1ccc(Nc2nc(Nc3ccc(C(=O)OCC)cc3)nc(Nc3ccccc3CC)n2)cc1.COc1ccc(Nc2nc(Nc3ccc(C)cc3)nc(Nc3ccc(C)cc3)n2)cc1.COc1ccc(Nc2nc(Nc3ccc(OC)cc3)nc(Nc3cccc(C)c3)n2)cc1.Cc1cccc(Nc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)c1C
• InChI: InChI=1S/C29H30N6O4.C28H28N6O4.C24H24N6O2.C24H24N6O.C23H22N6/c1-4-19-9-7-8-10-24(19)32-29-34-27(30-22-15-11-20(12-16-22)25(36)38-5-2)33-28(35-29)31-23-17-13-21(14-18-23)26(37)39-6-3;1-4-37-24(35)19-9-13-21(14-10-19)29-26-32-27(30-22-15-11-20(12-16-22)25(36)38-5-2)34-28(33-26)31-23-8-6-7-18(3)17-23;1-16-5-4-6-19(15-16)27-24-29-22(25-17-7-11-20(31-2)12-8-17)28-23(30-24)26-18-9-13-21(32-3)14-10-18;1-16-4-8-18(9-5-16)25-22-28-23(26-19-10-6-17(2)7-11-19)30-24(29-22)27-20-12-14-21(31-3)15-13-20;1-16-10-9-15-20(17(16)2)26-23-28-21(24-18-11-5-3-6-12-18)27-22(29-23)25-19-13-7-4-8-14-19/h7-18H,4-6H2,1-3H3,(H3,30,31,32,33,34,35);6-17H,4-5H2,1-3H3,(H3,29,30,31,32,33,34);4-15H,1-3H3,(H3,25,26,27,28,29,30);4-15H,1-3H3,(H3,25,26,27,28,29,30);3-15H,1-2H3,(H3,24,25,26,27,28,29)
• InChIKey: GROZKOGHYCPNQT-UHFFFAOYSA-N
• XLogP: 28.66
• TPSA: 506.69 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 41
• Rotatable Bonds: 42
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2262.63
LogP ≤ 5	28.66
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	41

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-N,6-N-bis(4-methoxyphenyl)-2-N-(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine;2-N-(2,3-dimethylphenyl)-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine;ethyl 4-[[4-(4-ethoxycarbonylanilino)-6-(2-ethylanilino)-1,3,5-triazin-2-yl]amino]benzoate;ethyl 4-[[4-(4-ethoxycarbonylanilino)-6-(3-methylanilino)-1,3,5-triazin-2-yl]amino]benzoate;2-N-(4-methoxyphenyl)-4-N,6-N-bis(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine?

The IUPAC name of 4-N,6-N-bis(4-methoxyphenyl)-2-N-(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine;2-N-(2,3-dimethylphenyl)-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine;ethyl 4-[[4-(4-ethoxycarbonylanilino)-6-(2-ethylanilino)-1,3,5-triazin-2-yl]amino]benzoate;ethyl 4-[[4-(4-ethoxycarbonylanilino)-6-(3-methylanilino)-1,3,5-triazin-2-yl]amino]benzoate;2-N-(4-methoxyphenyl)-4-N,6-N-bis(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine (CID 158344734) is 4-N,6-N-bis(4-methoxyphenyl)-2-N-(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine;2-N-(2,3-dimethylphenyl)-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine;ethyl 4-[[4-(4-ethoxycarbonylanilino)-6-(2-ethylanilino)-1,3,5-triazin-2-yl]amino]benzoate;ethyl 4-[[4-(4-ethoxycarbonylanilino)-6-(3-methylanilino)-1,3,5-triazin-2-yl]amino]benzoate;2-N-(4-methoxyphenyl)-4-N,6-N-bis(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine.

What is the SMILES notation for 4-N,6-N-bis(4-methoxyphenyl)-2-N-(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine;2-N-(2,3-dimethylphenyl)-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine;ethyl 4-[[4-(4-ethoxycarbonylanilino)-6-(2-ethylanilino)-1,3,5-triazin-2-yl]amino]benzoate;ethyl 4-[[4-(4-ethoxycarbonylanilino)-6-(3-methylanilino)-1,3,5-triazin-2-yl]amino]benzoate;2-N-(4-methoxyphenyl)-4-N,6-N-bis(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine?

The canonical SMILES for 4-N,6-N-bis(4-methoxyphenyl)-2-N-(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine;2-N-(2,3-dimethylphenyl)-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine;ethyl 4-[[4-(4-ethoxycarbonylanilino)-6-(2-ethylanilino)-1,3,5-triazin-2-yl]amino]benzoate;ethyl 4-[[4-(4-ethoxycarbonylanilino)-6-(3-methylanilino)-1,3,5-triazin-2-yl]amino]benzoate;2-N-(4-methoxyphenyl)-4-N,6-N-bis(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine is CCOC(=O)c1ccc(Nc2nc(Nc3ccc(C(=O)OCC)cc3)nc(Nc3cccc(C)c3)n2)cc1.CCOC(=O)c1ccc(Nc2nc(Nc3ccc(C(=O)OCC)cc3)nc(Nc3ccccc3CC)n2)cc1.COc1ccc(Nc2nc(Nc3ccc(C)cc3)nc(Nc3ccc(C)cc3)n2)cc1.COc1ccc(Nc2nc(Nc3ccc(OC)cc3)nc(Nc3cccc(C)c3)n2)cc1.Cc1cccc(Nc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)c1C.

What is the InChIKey of 4-N,6-N-bis(4-methoxyphenyl)-2-N-(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine;2-N-(2,3-dimethylphenyl)-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine;ethyl 4-[[4-(4-ethoxycarbonylanilino)-6-(2-ethylanilino)-1,3,5-triazin-2-yl]amino]benzoate;ethyl 4-[[4-(4-ethoxycarbonylanilino)-6-(3-methylanilino)-1,3,5-triazin-2-yl]amino]benzoate;2-N-(4-methoxyphenyl)-4-N,6-N-bis(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine?

The InChIKey is GROZKOGHYCPNQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N6O4.C28H28N6O4.C24H24N6O2.C24H24N6O.C23H22N6/c1-4-19-9-7-8-10-24(19)32-29-34-27(30-22-15-11-20(12-16-22)25(36)38-5-2)33-28(35-29)31-23-17-13-21(14-18-23)26(37)39-6-3;1-4-37-24(35)19-9-13-21(14-10-19)29-26-32-27(30-22-15-11-20(12-16-22)25(36)38-5-2)34-28(33-26)31-23-8-6-7-18(3)17-23;1-16-5-4-6-19(15-16)27-24-29-22(25-17-7-11-20(31-2)12-8-17)28-23(30-24)26-18-9-13-21(32-3)14-10-18;1-16-4-8-18(9-5-16)25-22-28-23(26-19-10-6-17(2)7-11-19)30-24(29-22)27-20-12-14-21(31-3)15-13-20;1-16-10-9-15-20(17(16)2)26-23-28-21(24-18-11-5-3-6-12-18)27-22(29-23)25-19-13-7-4-8-14-19/h7-18H,4-6H2,1-3H3,(H3,30,31,32,33,34,35);6-17H,4-5H2,1-3H3,(H3,29,30,31,32,33,34);4-15H,1-3H3,(H3,25,26,27,28,29,30);4-15H,1-3H3,(H3,25,26,27,28,29,30);3-15H,1-2H3,(H3,24,25,26,27,28,29).

What are the key properties of 4-N,6-N-bis(4-methoxyphenyl)-2-N-(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine;2-N-(2,3-dimethylphenyl)-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine;ethyl 4-[[4-(4-ethoxycarbonylanilino)-6-(2-ethylanilino)-1,3,5-triazin-2-yl]amino]benzoate;ethyl 4-[[4-(4-ethoxycarbonylanilino)-6-(3-methylanilino)-1,3,5-triazin-2-yl]amino]benzoate;2-N-(4-methoxyphenyl)-4-N,6-N-bis(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine?

4-N,6-N-bis(4-methoxyphenyl)-2-N-(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine;2-N-(2,3-dimethylphenyl)-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine;ethyl 4-[[4-(4-ethoxycarbonylanilino)-6-(2-ethylanilino)-1,3,5-triazin-2-yl]amino]benzoate;ethyl 4-[[4-(4-ethoxycarbonylanilino)-6-(3-methylanilino)-1,3,5-triazin-2-yl]amino]benzoate;2-N-(4-methoxyphenyl)-4-N,6-N-bis(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 2262.63 g/mol, XLogP of 28.66, 42 rotatable bonds, 15 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for 4-N,6-N-bis(4-methoxyphenyl)-2-N-(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine;2-N-(2,3-dimethylphenyl)-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine;ethyl 4-[[4-(4-ethoxycarbonylanilino)-6-(2-ethylanilino)-1,3,5-triazin-2-yl]amino]benzoate;ethyl 4-[[4-(4-ethoxycarbonylanilino)-6-(3-methylanilino)-1,3,5-triazin-2-yl]amino]benzoate;2-N-(4-methoxyphenyl)-4-N,6-N-bis(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 158344734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).