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

C130H129ClN30O12 — CID 159008377

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

4-N,6-N-bis(4-methoxyphenyl)-2-N-(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine;2-N-(2-chlorophenyl)-4-N,6-N-bis(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine;ethyl 4-[[4,6-bis(4-methylanilino)-1,3,5-triazin-2-yl]amino]benzoate;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 (PubChem CID 159008377) has the molecular formula C130H129ClN30O12 and a molecular weight of 2339.11 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-chlorophenyl)-4-N,6-N-bis(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine;ethyl 4-[[4,6-bis(4-methylanilino)-1,3,5-triazin-2-yl]amino]benzoate;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.

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-chlorophenyl)-4-N,6-N-bis(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine;ethyl 4-[[4,6-bis(4-methylanilino)-1,3,5-triazin-2-yl]amino]benzoate;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
• PubChem CID: 159008377
• Molecular Formula: C130H129ClN30O12
• Molecular Weight: 2339.11 g/mol
• Exact Mass: 2337.01
• IUPAC Name: 4-N,6-N-bis(4-methoxyphenyl)-2-N-(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine;2-N-(2-chlorophenyl)-4-N,6-N-bis(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine;ethyl 4-[[4,6-bis(4-methylanilino)-1,3,5-triazin-2-yl]amino]benzoate;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
• 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.CCOC(=O)c1ccc(Nc2nc(Nc3ccc(C)cc3)nc(Nc3ccc(C)cc3)n2)cc1.COc1ccc(Nc2nc(Nc3ccc(OC)cc3)nc(Nc3cccc(C)c3)n2)cc1.Cc1ccc(Nc2nc(Nc3ccc(C)cc3)nc(Nc3ccccc3Cl)n2)cc1
• InChI: InChI=1S/C29H30N6O4.C28H28N6O4.C26H26N6O2.C24H24N6O2.C23H21ClN6/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;1-4-34-23(33)19-9-15-22(16-10-19)29-26-31-24(27-20-11-5-17(2)6-12-20)30-25(32-26)28-21-13-7-18(3)8-14-21;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;1-15-7-11-17(12-8-15)25-21-28-22(26-18-13-9-16(2)10-14-18)30-23(29-21)27-20-6-4-3-5-19(20)24/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);5-16H,4H2,1-3H3,(H3,27,28,29,30,31,32);4-15H,1-3H3,(H3,25,26,27,28,29,30);3-14H,1-2H3,(H3,25,26,27,28,29,30)
• InChIKey: JSEYJTPFVGLSPZ-UHFFFAOYSA-N
• XLogP: 29.48
• TPSA: 523.76 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 42
• Rotatable Bonds: 43
• Heavy Atoms: 173
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2339.11
LogP ≤ 5	29.48
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	42

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

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-chlorophenyl)-4-N,6-N-bis(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine;ethyl 4-[[4,6-bis(4-methylanilino)-1,3,5-triazin-2-yl]amino]benzoate;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 (CID 159008377) is 4-N,6-N-bis(4-methoxyphenyl)-2-N-(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine;2-N-(2-chlorophenyl)-4-N,6-N-bis(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine;ethyl 4-[[4,6-bis(4-methylanilino)-1,3,5-triazin-2-yl]amino]benzoate;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.

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

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-chlorophenyl)-4-N,6-N-bis(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine;ethyl 4-[[4,6-bis(4-methylanilino)-1,3,5-triazin-2-yl]amino]benzoate;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 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.CCOC(=O)c1ccc(Nc2nc(Nc3ccc(C)cc3)nc(Nc3ccc(C)cc3)n2)cc1.COc1ccc(Nc2nc(Nc3ccc(OC)cc3)nc(Nc3cccc(C)c3)n2)cc1.Cc1ccc(Nc2nc(Nc3ccc(C)cc3)nc(Nc3ccccc3Cl)n2)cc1.

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

The InChIKey is JSEYJTPFVGLSPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N6O4.C28H28N6O4.C26H26N6O2.C24H24N6O2.C23H21ClN6/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;1-4-34-23(33)19-9-15-22(16-10-19)29-26-31-24(27-20-11-5-17(2)6-12-20)30-25(32-26)28-21-13-7-18(3)8-14-21;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;1-15-7-11-17(12-8-15)25-21-28-22(26-18-13-9-16(2)10-14-18)30-23(29-21)27-20-6-4-3-5-19(20)24/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);5-16H,4H2,1-3H3,(H3,27,28,29,30,31,32);4-15H,1-3H3,(H3,25,26,27,28,29,30);3-14H,1-2H3,(H3,25,26,27,28,29,30).

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

4-N,6-N-bis(4-methoxyphenyl)-2-N-(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine;2-N-(2-chlorophenyl)-4-N,6-N-bis(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine;ethyl 4-[[4,6-bis(4-methylanilino)-1,3,5-triazin-2-yl]amino]benzoate;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 has a molecular weight of 2339.11 g/mol, XLogP of 29.48, 43 rotatable bonds, 15 hydrogen bond donors, and 42 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-chlorophenyl)-4-N,6-N-bis(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine;ethyl 4-[[4,6-bis(4-methylanilino)-1,3,5-triazin-2-yl]amino]benzoate;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 is sourced from PubChem (CID 159008377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).