2-N-(2-chlorophenyl)-4-N-(2-ethylphenyl)-6-N-(2-methylphenyl)-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;ethyl 4-[[4-(4-methoxyanilino)-6-(4-methylanilino)-1,3,5-triazin-2-yl]amino]benzoate

C74H72Cl2N18O3 — CID 157336387

About 2-N-(2-chlorophenyl)-4-N-(2-ethylphenyl)-6-N-(2-methylphenyl)-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;ethyl 4-[[4-(4-methoxyanilino)-6-(4-methylanilino)-1,3,5-triazin-2-yl]amino]benzoate

2-N-(2-chlorophenyl)-4-N-(2-ethylphenyl)-6-N-(2-methylphenyl)-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;ethyl 4-[[4-(4-methoxyanilino)-6-(4-methylanilino)-1,3,5-triazin-2-yl]amino]benzoate (PubChem CID 157336387) has the molecular formula C74H72Cl2N18O3 and a molecular weight of 1332.42 g/mol. Its IUPAC name is 2-N-(2-chlorophenyl)-4-N-(2-ethylphenyl)-6-N-(2-methylphenyl)-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;ethyl 4-[[4-(4-methoxyanilino)-6-(4-methylanilino)-1,3,5-triazin-2-yl]amino]benzoate.

Molecular Properties

• Compound Name: 2-N-(2-chlorophenyl)-4-N-(2-ethylphenyl)-6-N-(2-methylphenyl)-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;ethyl 4-[[4-(4-methoxyanilino)-6-(4-methylanilino)-1,3,5-triazin-2-yl]amino]benzoate
• PubChem CID: 157336387
• Molecular Formula: C74H72Cl2N18O3
• Molecular Weight: 1332.42 g/mol
• Exact Mass: 1330.54
• IUPAC Name: 2-N-(2-chlorophenyl)-4-N-(2-ethylphenyl)-6-N-(2-methylphenyl)-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;ethyl 4-[[4-(4-methoxyanilino)-6-(4-methylanilino)-1,3,5-triazin-2-yl]amino]benzoate
• SMILES: CCOC(=O)c1ccc(Nc2nc(Nc3ccc(C)cc3)nc(Nc3ccc(OC)cc3)n2)cc1.CCc1ccccc1Nc1nc(Nc2cccc(C)c2)nc(Nc2ccccc2Cl)n1.CCc1ccccc1Nc1nc(Nc2ccccc2C)nc(Nc2ccccc2Cl)n1
• InChI: InChI=1S/C26H26N6O3.2C24H23ClN6/c1-4-35-23(33)18-7-11-20(12-8-18)28-25-30-24(27-19-9-5-17(2)6-10-19)31-26(32-25)29-21-13-15-22(34-3)16-14-21;1-3-17-11-5-8-14-20(17)27-23-29-22(26-19-13-7-4-10-16(19)2)30-24(31-23)28-21-15-9-6-12-18(21)25;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/h5-16H,4H2,1-3H3,(H3,27,28,29,30,31,32);2*4-15H,3H2,1-2H3,(H3,26,27,28,29,30,31)
• InChIKey: BFWSXMZDMLOADD-UHFFFAOYSA-N
• XLogP: 18.85
• TPSA: 259.81 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 21
• Rotatable Bonds: 23
• Heavy Atoms: 97
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1332.42
LogP ≤ 5	18.85
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

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

The IUPAC name of 2-N-(2-chlorophenyl)-4-N-(2-ethylphenyl)-6-N-(2-methylphenyl)-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;ethyl 4-[[4-(4-methoxyanilino)-6-(4-methylanilino)-1,3,5-triazin-2-yl]amino]benzoate (CID 157336387) is 2-N-(2-chlorophenyl)-4-N-(2-ethylphenyl)-6-N-(2-methylphenyl)-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;ethyl 4-[[4-(4-methoxyanilino)-6-(4-methylanilino)-1,3,5-triazin-2-yl]amino]benzoate.

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

The canonical SMILES for 2-N-(2-chlorophenyl)-4-N-(2-ethylphenyl)-6-N-(2-methylphenyl)-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;ethyl 4-[[4-(4-methoxyanilino)-6-(4-methylanilino)-1,3,5-triazin-2-yl]amino]benzoate is CCOC(=O)c1ccc(Nc2nc(Nc3ccc(C)cc3)nc(Nc3ccc(OC)cc3)n2)cc1.CCc1ccccc1Nc1nc(Nc2cccc(C)c2)nc(Nc2ccccc2Cl)n1.CCc1ccccc1Nc1nc(Nc2ccccc2C)nc(Nc2ccccc2Cl)n1.

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

The InChIKey is BFWSXMZDMLOADD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N6O3.2C24H23ClN6/c1-4-35-23(33)18-7-11-20(12-8-18)28-25-30-24(27-19-9-5-17(2)6-10-19)31-26(32-25)29-21-13-15-22(34-3)16-14-21;1-3-17-11-5-8-14-20(17)27-23-29-22(26-19-13-7-4-10-16(19)2)30-24(31-23)28-21-15-9-6-12-18(21)25;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/h5-16H,4H2,1-3H3,(H3,27,28,29,30,31,32);2*4-15H,3H2,1-2H3,(H3,26,27,28,29,30,31).

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

2-N-(2-chlorophenyl)-4-N-(2-ethylphenyl)-6-N-(2-methylphenyl)-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;ethyl 4-[[4-(4-methoxyanilino)-6-(4-methylanilino)-1,3,5-triazin-2-yl]amino]benzoate has a molecular weight of 1332.42 g/mol, XLogP of 18.85, 23 rotatable bonds, 9 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N-(2-chlorophenyl)-4-N-(2-ethylphenyl)-6-N-(2-methylphenyl)-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;ethyl 4-[[4-(4-methoxyanilino)-6-(4-methylanilino)-1,3,5-triazin-2-yl]amino]benzoate is sourced from PubChem (CID 157336387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).