4-N,6-N-bis(3-methylphenyl)-2-N-pyridin-2-yl-1,3,5-triazine-2,4,6-triamine;4-N,6-N-bis(3-methylphenyl)-2-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4,6-triamine;6-N-(4-bromophenyl)-2-N,4-N-bis(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine;methyl 2-[[4-(2,4-dimethylanilino)-6-(2-methoxycarbonylanilino)-1,3,5-triazin-2-yl]amino]benzoate;methyl 2-[[4-(2-methoxycarbonylanilino)-6-(3-methylanilino)-1,3,5-triazin-2-yl]amino]benzoate

C122H113BrF3N31O8 — CID 162189046

About 4-N,6-N-bis(3-methylphenyl)-2-N-pyridin-2-yl-1,3,5-triazine-2,4,6-triamine;4-N,6-N-bis(3-methylphenyl)-2-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4,6-triamine;6-N-(4-bromophenyl)-2-N,4-N-bis(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine;methyl 2-[[4-(2,4-dimethylanilino)-6-(2-methoxycarbonylanilino)-1,3,5-triazin-2-yl]amino]benzoate;methyl 2-[[4-(2-methoxycarbonylanilino)-6-(3-methylanilino)-1,3,5-triazin-2-yl]amino]benzoate

4-N,6-N-bis(3-methylphenyl)-2-N-pyridin-2-yl-1,3,5-triazine-2,4,6-triamine;4-N,6-N-bis(3-methylphenyl)-2-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4,6-triamine;6-N-(4-bromophenyl)-2-N,4-N-bis(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine;methyl 2-[[4-(2,4-dimethylanilino)-6-(2-methoxycarbonylanilino)-1,3,5-triazin-2-yl]amino]benzoate;methyl 2-[[4-(2-methoxycarbonylanilino)-6-(3-methylanilino)-1,3,5-triazin-2-yl]amino]benzoate (PubChem CID 162189046) has the molecular formula C122H113BrF3N31O8 and a molecular weight of 2278.35 g/mol. Its IUPAC name is 4-N,6-N-bis(3-methylphenyl)-2-N-pyridin-2-yl-1,3,5-triazine-2,4,6-triamine;4-N,6-N-bis(3-methylphenyl)-2-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4,6-triamine;6-N-(4-bromophenyl)-2-N,4-N-bis(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine;methyl 2-[[4-(2,4-dimethylanilino)-6-(2-methoxycarbonylanilino)-1,3,5-triazin-2-yl]amino]benzoate;methyl 2-[[4-(2-methoxycarbonylanilino)-6-(3-methylanilino)-1,3,5-triazin-2-yl]amino]benzoate.

Molecular Properties

• Compound Name: 4-N,6-N-bis(3-methylphenyl)-2-N-pyridin-2-yl-1,3,5-triazine-2,4,6-triamine;4-N,6-N-bis(3-methylphenyl)-2-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4,6-triamine;6-N-(4-bromophenyl)-2-N,4-N-bis(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine;methyl 2-[[4-(2,4-dimethylanilino)-6-(2-methoxycarbonylanilino)-1,3,5-triazin-2-yl]amino]benzoate;methyl 2-[[4-(2-methoxycarbonylanilino)-6-(3-methylanilino)-1,3,5-triazin-2-yl]amino]benzoate
• PubChem CID: 162189046
• Molecular Formula: C122H113BrF3N31O8
• Molecular Weight: 2278.35 g/mol
• Exact Mass: 2275.85
• IUPAC Name: 4-N,6-N-bis(3-methylphenyl)-2-N-pyridin-2-yl-1,3,5-triazine-2,4,6-triamine;4-N,6-N-bis(3-methylphenyl)-2-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4,6-triamine;6-N-(4-bromophenyl)-2-N,4-N-bis(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine;methyl 2-[[4-(2,4-dimethylanilino)-6-(2-methoxycarbonylanilino)-1,3,5-triazin-2-yl]amino]benzoate;methyl 2-[[4-(2-methoxycarbonylanilino)-6-(3-methylanilino)-1,3,5-triazin-2-yl]amino]benzoate
• SMILES: COC(=O)c1ccccc1Nc1nc(Nc2ccc(C)cc2C)nc(Nc2ccccc2C(=O)OC)n1.COC(=O)c1ccccc1Nc1nc(Nc2cccc(C)c2)nc(Nc2ccccc2C(=O)OC)n1.Cc1cccc(Nc2nc(Nc3ccc(Br)cc3)nc(Nc3cccc(C)c3)n2)c1.Cc1cccc(Nc2nc(Nc3cccc(C)c3)nc(Nc3cccc(C(F)(F)F)c3)n2)c1.Cc1cccc(Nc2nc(Nc3cccc(C)c3)nc(Nc3ccccn3)n2)c1
• InChI: InChI=1S/C27H26N6O4.C26H24N6O4.C24H21F3N6.C23H21BrN6.C22H21N7/c1-16-13-14-20(17(2)15-16)28-25-31-26(29-21-11-7-5-9-18(21)23(34)36-3)33-27(32-25)30-22-12-8-6-10-19(22)24(35)37-4;1-16-9-8-10-17(15-16)27-24-30-25(28-20-13-6-4-11-18(20)22(33)35-2)32-26(31-24)29-21-14-7-5-12-19(21)23(34)36-3;1-15-6-3-9-18(12-15)28-21-31-22(29-19-10-4-7-16(2)13-19)33-23(32-21)30-20-11-5-8-17(14-20)24(25,26)27;1-15-5-3-7-19(13-15)26-22-28-21(25-18-11-9-17(24)10-12-18)29-23(30-22)27-20-8-4-6-16(2)14-20;1-15-7-5-9-17(13-15)24-20-27-21(25-18-10-6-8-16(2)14-18)29-22(28-20)26-19-11-3-4-12-23-19/h5-15H,1-4H3,(H3,28,29,30,31,32,33);4-15H,1-3H3,(H3,27,28,29,30,31,32);3-14H,1-2H3,(H3,28,29,30,31,32,33);3-14H,1-2H3,(H3,25,26,27,28,29,30);3-14H,1-2H3,(H3,23,24,25,26,27,28,29)
• InChIKey: ZQAZOXYWYVFFPE-UHFFFAOYSA-N
• XLogP: 28.61
• TPSA: 491.89 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 39
• Rotatable Bonds: 34
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2278.35
LogP ≤ 5	28.61
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	39

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(3-methylphenyl)-2-N-pyridin-2-yl-1,3,5-triazine-2,4,6-triamine;4-N,6-N-bis(3-methylphenyl)-2-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4,6-triamine;6-N-(4-bromophenyl)-2-N,4-N-bis(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine;methyl 2-[[4-(2,4-dimethylanilino)-6-(2-methoxycarbonylanilino)-1,3,5-triazin-2-yl]amino]benzoate;methyl 2-[[4-(2-methoxycarbonylanilino)-6-(3-methylanilino)-1,3,5-triazin-2-yl]amino]benzoate?

The IUPAC name of 4-N,6-N-bis(3-methylphenyl)-2-N-pyridin-2-yl-1,3,5-triazine-2,4,6-triamine;4-N,6-N-bis(3-methylphenyl)-2-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4,6-triamine;6-N-(4-bromophenyl)-2-N,4-N-bis(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine;methyl 2-[[4-(2,4-dimethylanilino)-6-(2-methoxycarbonylanilino)-1,3,5-triazin-2-yl]amino]benzoate;methyl 2-[[4-(2-methoxycarbonylanilino)-6-(3-methylanilino)-1,3,5-triazin-2-yl]amino]benzoate (CID 162189046) is 4-N,6-N-bis(3-methylphenyl)-2-N-pyridin-2-yl-1,3,5-triazine-2,4,6-triamine;4-N,6-N-bis(3-methylphenyl)-2-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4,6-triamine;6-N-(4-bromophenyl)-2-N,4-N-bis(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine;methyl 2-[[4-(2,4-dimethylanilino)-6-(2-methoxycarbonylanilino)-1,3,5-triazin-2-yl]amino]benzoate;methyl 2-[[4-(2-methoxycarbonylanilino)-6-(3-methylanilino)-1,3,5-triazin-2-yl]amino]benzoate.

What is the SMILES notation for 4-N,6-N-bis(3-methylphenyl)-2-N-pyridin-2-yl-1,3,5-triazine-2,4,6-triamine;4-N,6-N-bis(3-methylphenyl)-2-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4,6-triamine;6-N-(4-bromophenyl)-2-N,4-N-bis(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine;methyl 2-[[4-(2,4-dimethylanilino)-6-(2-methoxycarbonylanilino)-1,3,5-triazin-2-yl]amino]benzoate;methyl 2-[[4-(2-methoxycarbonylanilino)-6-(3-methylanilino)-1,3,5-triazin-2-yl]amino]benzoate?

The canonical SMILES for 4-N,6-N-bis(3-methylphenyl)-2-N-pyridin-2-yl-1,3,5-triazine-2,4,6-triamine;4-N,6-N-bis(3-methylphenyl)-2-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4,6-triamine;6-N-(4-bromophenyl)-2-N,4-N-bis(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine;methyl 2-[[4-(2,4-dimethylanilino)-6-(2-methoxycarbonylanilino)-1,3,5-triazin-2-yl]amino]benzoate;methyl 2-[[4-(2-methoxycarbonylanilino)-6-(3-methylanilino)-1,3,5-triazin-2-yl]amino]benzoate is COC(=O)c1ccccc1Nc1nc(Nc2ccc(C)cc2C)nc(Nc2ccccc2C(=O)OC)n1.COC(=O)c1ccccc1Nc1nc(Nc2cccc(C)c2)nc(Nc2ccccc2C(=O)OC)n1.Cc1cccc(Nc2nc(Nc3ccc(Br)cc3)nc(Nc3cccc(C)c3)n2)c1.Cc1cccc(Nc2nc(Nc3cccc(C)c3)nc(Nc3cccc(C(F)(F)F)c3)n2)c1.Cc1cccc(Nc2nc(Nc3cccc(C)c3)nc(Nc3ccccn3)n2)c1.

What is the InChIKey of 4-N,6-N-bis(3-methylphenyl)-2-N-pyridin-2-yl-1,3,5-triazine-2,4,6-triamine;4-N,6-N-bis(3-methylphenyl)-2-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4,6-triamine;6-N-(4-bromophenyl)-2-N,4-N-bis(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine;methyl 2-[[4-(2,4-dimethylanilino)-6-(2-methoxycarbonylanilino)-1,3,5-triazin-2-yl]amino]benzoate;methyl 2-[[4-(2-methoxycarbonylanilino)-6-(3-methylanilino)-1,3,5-triazin-2-yl]amino]benzoate?

The InChIKey is ZQAZOXYWYVFFPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N6O4.C26H24N6O4.C24H21F3N6.C23H21BrN6.C22H21N7/c1-16-13-14-20(17(2)15-16)28-25-31-26(29-21-11-7-5-9-18(21)23(34)36-3)33-27(32-25)30-22-12-8-6-10-19(22)24(35)37-4;1-16-9-8-10-17(15-16)27-24-30-25(28-20-13-6-4-11-18(20)22(33)35-2)32-26(31-24)29-21-14-7-5-12-19(21)23(34)36-3;1-15-6-3-9-18(12-15)28-21-31-22(29-19-10-4-7-16(2)13-19)33-23(32-21)30-20-11-5-8-17(14-20)24(25,26)27;1-15-5-3-7-19(13-15)26-22-28-21(25-18-11-9-17(24)10-12-18)29-23(30-22)27-20-8-4-6-16(2)14-20;1-15-7-5-9-17(13-15)24-20-27-21(25-18-10-6-8-16(2)14-18)29-22(28-20)26-19-11-3-4-12-23-19/h5-15H,1-4H3,(H3,28,29,30,31,32,33);4-15H,1-3H3,(H3,27,28,29,30,31,32);3-14H,1-2H3,(H3,28,29,30,31,32,33);3-14H,1-2H3,(H3,25,26,27,28,29,30);3-14H,1-2H3,(H3,23,24,25,26,27,28,29).

What are the key properties of 4-N,6-N-bis(3-methylphenyl)-2-N-pyridin-2-yl-1,3,5-triazine-2,4,6-triamine;4-N,6-N-bis(3-methylphenyl)-2-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4,6-triamine;6-N-(4-bromophenyl)-2-N,4-N-bis(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine;methyl 2-[[4-(2,4-dimethylanilino)-6-(2-methoxycarbonylanilino)-1,3,5-triazin-2-yl]amino]benzoate;methyl 2-[[4-(2-methoxycarbonylanilino)-6-(3-methylanilino)-1,3,5-triazin-2-yl]amino]benzoate?

4-N,6-N-bis(3-methylphenyl)-2-N-pyridin-2-yl-1,3,5-triazine-2,4,6-triamine;4-N,6-N-bis(3-methylphenyl)-2-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4,6-triamine;6-N-(4-bromophenyl)-2-N,4-N-bis(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine;methyl 2-[[4-(2,4-dimethylanilino)-6-(2-methoxycarbonylanilino)-1,3,5-triazin-2-yl]amino]benzoate;methyl 2-[[4-(2-methoxycarbonylanilino)-6-(3-methylanilino)-1,3,5-triazin-2-yl]amino]benzoate has a molecular weight of 2278.35 g/mol, XLogP of 28.61, 34 rotatable bonds, 15 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 4-N,6-N-bis(3-methylphenyl)-2-N-pyridin-2-yl-1,3,5-triazine-2,4,6-triamine;4-N,6-N-bis(3-methylphenyl)-2-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4,6-triamine;6-N-(4-bromophenyl)-2-N,4-N-bis(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine;methyl 2-[[4-(2,4-dimethylanilino)-6-(2-methoxycarbonylanilino)-1,3,5-triazin-2-yl]amino]benzoate;methyl 2-[[4-(2-methoxycarbonylanilino)-6-(3-methylanilino)-1,3,5-triazin-2-yl]amino]benzoate is sourced from PubChem (CID 162189046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).