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

C132H123BrF3N21O8 — CID 159846336

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

4,6-bis[(3-methylphenyl)methyl]-N-pyridin-2-yl-1,3,5-triazin-2-amine;4,6-bis[(3-methylphenyl)methyl]-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine;N-(4-bromophenyl)-4,6-bis[(3-methylphenyl)methyl]-1,3,5-triazin-2-amine;methyl 2-[[4-(2,4-dimethylanilino)-6-[[2-(formyloxymethyl)phenyl]methyl]-1,3,5-triazin-2-yl]methyl]benzoate;methyl 2-[[4-[[2-(formyloxymethyl)phenyl]methyl]-6-(3-methylanilino)-1,3,5-triazin-2-yl]methyl]benzoate (PubChem CID 159846336) has the molecular formula C132H123BrF3N21O8 and a molecular weight of 2268.47 g/mol. Its IUPAC name is 4,6-bis[(3-methylphenyl)methyl]-N-pyridin-2-yl-1,3,5-triazin-2-amine;4,6-bis[(3-methylphenyl)methyl]-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine;N-(4-bromophenyl)-4,6-bis[(3-methylphenyl)methyl]-1,3,5-triazin-2-amine;methyl 2-[[4-(2,4-dimethylanilino)-6-[[2-(formyloxymethyl)phenyl]methyl]-1,3,5-triazin-2-yl]methyl]benzoate;methyl 2-[[4-[[2-(formyloxymethyl)phenyl]methyl]-6-(3-methylanilino)-1,3,5-triazin-2-yl]methyl]benzoate.

Molecular Properties

• Compound Name: 4,6-bis[(3-methylphenyl)methyl]-N-pyridin-2-yl-1,3,5-triazin-2-amine;4,6-bis[(3-methylphenyl)methyl]-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine;N-(4-bromophenyl)-4,6-bis[(3-methylphenyl)methyl]-1,3,5-triazin-2-amine;methyl 2-[[4-(2,4-dimethylanilino)-6-[[2-(formyloxymethyl)phenyl]methyl]-1,3,5-triazin-2-yl]methyl]benzoate;methyl 2-[[4-[[2-(formyloxymethyl)phenyl]methyl]-6-(3-methylanilino)-1,3,5-triazin-2-yl]methyl]benzoate
• PubChem CID: 159846336
• Molecular Formula: C132H123BrF3N21O8
• Molecular Weight: 2268.47 g/mol
• Exact Mass: 2265.90
• IUPAC Name: 4,6-bis[(3-methylphenyl)methyl]-N-pyridin-2-yl-1,3,5-triazin-2-amine;4,6-bis[(3-methylphenyl)methyl]-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine;N-(4-bromophenyl)-4,6-bis[(3-methylphenyl)methyl]-1,3,5-triazin-2-amine;methyl 2-[[4-(2,4-dimethylanilino)-6-[[2-(formyloxymethyl)phenyl]methyl]-1,3,5-triazin-2-yl]methyl]benzoate;methyl 2-[[4-[[2-(formyloxymethyl)phenyl]methyl]-6-(3-methylanilino)-1,3,5-triazin-2-yl]methyl]benzoate
• SMILES: COC(=O)c1ccccc1Cc1nc(Cc2ccccc2COC=O)nc(Nc2ccc(C)cc2C)n1.COC(=O)c1ccccc1Cc1nc(Cc2ccccc2COC=O)nc(Nc2cccc(C)c2)n1.Cc1cccc(Cc2nc(Cc3cccc(C)c3)nc(Nc3ccc(Br)cc3)n2)c1.Cc1cccc(Cc2nc(Cc3cccc(C)c3)nc(Nc3cccc(C(F)(F)F)c3)n2)c1.Cc1cccc(Cc2nc(Cc3cccc(C)c3)nc(Nc3ccccn3)n2)c1
• InChI: InChI=1S/C29H28N4O4.C28H26N4O4.C26H23F3N4.C25H23BrN4.C24H23N5/c1-19-12-13-25(20(2)14-19)30-29-32-26(15-21-8-4-5-10-23(21)17-37-18-34)31-27(33-29)16-22-9-6-7-11-24(22)28(35)36-3;1-19-8-7-12-23(14-19)29-28-31-25(15-20-9-3-4-11-22(20)17-36-18-33)30-26(32-28)16-21-10-5-6-13-24(21)27(34)35-2;1-17-6-3-8-19(12-17)14-23-31-24(15-20-9-4-7-18(2)13-20)33-25(32-23)30-22-11-5-10-21(16-22)26(27,28)29;1-17-5-3-7-19(13-17)15-23-28-24(16-20-8-4-6-18(2)14-20)30-25(29-23)27-22-11-9-21(26)10-12-22;1-17-7-5-9-19(13-17)15-22-26-23(16-20-10-6-8-18(2)14-20)29-24(28-22)27-21-11-3-4-12-25-21/h4-14,18H,15-17H2,1-3H3,(H,30,31,32,33);3-14,18H,15-17H2,1-2H3,(H,29,30,31,32);3-13,16H,14-15H2,1-2H3,(H,30,31,32,33);3-14H,15-16H2,1-2H3,(H,27,28,29,30);3-14H,15-16H2,1-2H3,(H,25,26,27,28,29)
• InChIKey: NPIUXNISOASIQT-UHFFFAOYSA-N
• XLogP: 26.86
• TPSA: 371.59 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 29
• Rotatable Bonds: 38
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2268.47
LogP ≤ 5	26.86
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4,6-bis[(3-methylphenyl)methyl]-N-pyridin-2-yl-1,3,5-triazin-2-amine;4,6-bis[(3-methylphenyl)methyl]-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine;N-(4-bromophenyl)-4,6-bis[(3-methylphenyl)methyl]-1,3,5-triazin-2-amine;methyl 2-[[4-(2,4-dimethylanilino)-6-[[2-(formyloxymethyl)phenyl]methyl]-1,3,5-triazin-2-yl]methyl]benzoate;methyl 2-[[4-[[2-(formyloxymethyl)phenyl]methyl]-6-(3-methylanilino)-1,3,5-triazin-2-yl]methyl]benzoate?

The IUPAC name of 4,6-bis[(3-methylphenyl)methyl]-N-pyridin-2-yl-1,3,5-triazin-2-amine;4,6-bis[(3-methylphenyl)methyl]-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine;N-(4-bromophenyl)-4,6-bis[(3-methylphenyl)methyl]-1,3,5-triazin-2-amine;methyl 2-[[4-(2,4-dimethylanilino)-6-[[2-(formyloxymethyl)phenyl]methyl]-1,3,5-triazin-2-yl]methyl]benzoate;methyl 2-[[4-[[2-(formyloxymethyl)phenyl]methyl]-6-(3-methylanilino)-1,3,5-triazin-2-yl]methyl]benzoate (CID 159846336) is 4,6-bis[(3-methylphenyl)methyl]-N-pyridin-2-yl-1,3,5-triazin-2-amine;4,6-bis[(3-methylphenyl)methyl]-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine;N-(4-bromophenyl)-4,6-bis[(3-methylphenyl)methyl]-1,3,5-triazin-2-amine;methyl 2-[[4-(2,4-dimethylanilino)-6-[[2-(formyloxymethyl)phenyl]methyl]-1,3,5-triazin-2-yl]methyl]benzoate;methyl 2-[[4-[[2-(formyloxymethyl)phenyl]methyl]-6-(3-methylanilino)-1,3,5-triazin-2-yl]methyl]benzoate.

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

The canonical SMILES for 4,6-bis[(3-methylphenyl)methyl]-N-pyridin-2-yl-1,3,5-triazin-2-amine;4,6-bis[(3-methylphenyl)methyl]-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine;N-(4-bromophenyl)-4,6-bis[(3-methylphenyl)methyl]-1,3,5-triazin-2-amine;methyl 2-[[4-(2,4-dimethylanilino)-6-[[2-(formyloxymethyl)phenyl]methyl]-1,3,5-triazin-2-yl]methyl]benzoate;methyl 2-[[4-[[2-(formyloxymethyl)phenyl]methyl]-6-(3-methylanilino)-1,3,5-triazin-2-yl]methyl]benzoate is COC(=O)c1ccccc1Cc1nc(Cc2ccccc2COC=O)nc(Nc2ccc(C)cc2C)n1.COC(=O)c1ccccc1Cc1nc(Cc2ccccc2COC=O)nc(Nc2cccc(C)c2)n1.Cc1cccc(Cc2nc(Cc3cccc(C)c3)nc(Nc3ccc(Br)cc3)n2)c1.Cc1cccc(Cc2nc(Cc3cccc(C)c3)nc(Nc3cccc(C(F)(F)F)c3)n2)c1.Cc1cccc(Cc2nc(Cc3cccc(C)c3)nc(Nc3ccccn3)n2)c1.

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

The InChIKey is NPIUXNISOASIQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N4O4.C28H26N4O4.C26H23F3N4.C25H23BrN4.C24H23N5/c1-19-12-13-25(20(2)14-19)30-29-32-26(15-21-8-4-5-10-23(21)17-37-18-34)31-27(33-29)16-22-9-6-7-11-24(22)28(35)36-3;1-19-8-7-12-23(14-19)29-28-31-25(15-20-9-3-4-11-22(20)17-36-18-33)30-26(32-28)16-21-10-5-6-13-24(21)27(34)35-2;1-17-6-3-8-19(12-17)14-23-31-24(15-20-9-4-7-18(2)13-20)33-25(32-23)30-22-11-5-10-21(16-22)26(27,28)29;1-17-5-3-7-19(13-17)15-23-28-24(16-20-8-4-6-18(2)14-20)30-25(29-23)27-22-11-9-21(26)10-12-22;1-17-7-5-9-19(13-17)15-22-26-23(16-20-10-6-8-18(2)14-20)29-24(28-22)27-21-11-3-4-12-25-21/h4-14,18H,15-17H2,1-3H3,(H,30,31,32,33);3-14,18H,15-17H2,1-2H3,(H,29,30,31,32);3-13,16H,14-15H2,1-2H3,(H,30,31,32,33);3-14H,15-16H2,1-2H3,(H,27,28,29,30);3-14H,15-16H2,1-2H3,(H,25,26,27,28,29).

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

4,6-bis[(3-methylphenyl)methyl]-N-pyridin-2-yl-1,3,5-triazin-2-amine;4,6-bis[(3-methylphenyl)methyl]-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine;N-(4-bromophenyl)-4,6-bis[(3-methylphenyl)methyl]-1,3,5-triazin-2-amine;methyl 2-[[4-(2,4-dimethylanilino)-6-[[2-(formyloxymethyl)phenyl]methyl]-1,3,5-triazin-2-yl]methyl]benzoate;methyl 2-[[4-[[2-(formyloxymethyl)phenyl]methyl]-6-(3-methylanilino)-1,3,5-triazin-2-yl]methyl]benzoate has a molecular weight of 2268.47 g/mol, XLogP of 26.86, 38 rotatable bonds, 5 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 4,6-bis[(3-methylphenyl)methyl]-N-pyridin-2-yl-1,3,5-triazin-2-amine;4,6-bis[(3-methylphenyl)methyl]-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine;N-(4-bromophenyl)-4,6-bis[(3-methylphenyl)methyl]-1,3,5-triazin-2-amine;methyl 2-[[4-(2,4-dimethylanilino)-6-[[2-(formyloxymethyl)phenyl]methyl]-1,3,5-triazin-2-yl]methyl]benzoate;methyl 2-[[4-[[2-(formyloxymethyl)phenyl]methyl]-6-(3-methylanilino)-1,3,5-triazin-2-yl]methyl]benzoate is sourced from PubChem (CID 159846336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).