4-benzyl-6-[(3-methoxyphenyl)methyl]-N-(2-methylphenyl)-1,3,5-triazin-2-amine;N-(2-chlorophenyl)-4-[(2-ethylphenyl)methyl]-6-[(3-methylphenyl)methyl]-1,3,5-triazin-2-amine;ethyl 4-[[4-benzyl-6-[(3-methylphenyl)methyl]-1,3,5-triazin-2-yl]amino]benzoate;[4-[[4-(4-methylanilino)-6-[(3-methylphenyl)methyl]-1,3,5-triazin-2-yl]methyl]phenyl]methanol

C104H101ClN16O4 — CID 159769356

About 4-benzyl-6-[(3-methoxyphenyl)methyl]-N-(2-methylphenyl)-1,3,5-triazin-2-amine;N-(2-chlorophenyl)-4-[(2-ethylphenyl)methyl]-6-[(3-methylphenyl)methyl]-1,3,5-triazin-2-amine;ethyl 4-[[4-benzyl-6-[(3-methylphenyl)methyl]-1,3,5-triazin-2-yl]amino]benzoate;[4-[[4-(4-methylanilino)-6-[(3-methylphenyl)methyl]-1,3,5-triazin-2-yl]methyl]phenyl]methanol

4-benzyl-6-[(3-methoxyphenyl)methyl]-N-(2-methylphenyl)-1,3,5-triazin-2-amine;N-(2-chlorophenyl)-4-[(2-ethylphenyl)methyl]-6-[(3-methylphenyl)methyl]-1,3,5-triazin-2-amine;ethyl 4-[[4-benzyl-6-[(3-methylphenyl)methyl]-1,3,5-triazin-2-yl]amino]benzoate;[4-[[4-(4-methylanilino)-6-[(3-methylphenyl)methyl]-1,3,5-triazin-2-yl]methyl]phenyl]methanol (PubChem CID 159769356) has the molecular formula C104H101ClN16O4 and a molecular weight of 1674.51 g/mol. Its IUPAC name is 4-benzyl-6-[(3-methoxyphenyl)methyl]-N-(2-methylphenyl)-1,3,5-triazin-2-amine;N-(2-chlorophenyl)-4-[(2-ethylphenyl)methyl]-6-[(3-methylphenyl)methyl]-1,3,5-triazin-2-amine;ethyl 4-[[4-benzyl-6-[(3-methylphenyl)methyl]-1,3,5-triazin-2-yl]amino]benzoate;[4-[[4-(4-methylanilino)-6-[(3-methylphenyl)methyl]-1,3,5-triazin-2-yl]methyl]phenyl]methanol.

Molecular Properties

• Compound Name: 4-benzyl-6-[(3-methoxyphenyl)methyl]-N-(2-methylphenyl)-1,3,5-triazin-2-amine;N-(2-chlorophenyl)-4-[(2-ethylphenyl)methyl]-6-[(3-methylphenyl)methyl]-1,3,5-triazin-2-amine;ethyl 4-[[4-benzyl-6-[(3-methylphenyl)methyl]-1,3,5-triazin-2-yl]amino]benzoate;[4-[[4-(4-methylanilino)-6-[(3-methylphenyl)methyl]-1,3,5-triazin-2-yl]methyl]phenyl]methanol
• PubChem CID: 159769356
• Molecular Formula: C104H101ClN16O4
• Molecular Weight: 1674.51 g/mol
• Exact Mass: 1672.79
• IUPAC Name: 4-benzyl-6-[(3-methoxyphenyl)methyl]-N-(2-methylphenyl)-1,3,5-triazin-2-amine;N-(2-chlorophenyl)-4-[(2-ethylphenyl)methyl]-6-[(3-methylphenyl)methyl]-1,3,5-triazin-2-amine;ethyl 4-[[4-benzyl-6-[(3-methylphenyl)methyl]-1,3,5-triazin-2-yl]amino]benzoate;[4-[[4-(4-methylanilino)-6-[(3-methylphenyl)methyl]-1,3,5-triazin-2-yl]methyl]phenyl]methanol
• SMILES: CCOC(=O)c1ccc(Nc2nc(Cc3ccccc3)nc(Cc3cccc(C)c3)n2)cc1.CCc1ccccc1Cc1nc(Cc2cccc(C)c2)nc(Nc2ccccc2Cl)n1.COc1cccc(Cc2nc(Cc3ccccc3)nc(Nc3ccccc3C)n2)c1.Cc1ccc(Nc2nc(Cc3ccc(CO)cc3)nc(Cc3cccc(C)c3)n2)cc1
• InChI: InChI=1S/C27H26N4O2.C26H25ClN4.C26H26N4O.C25H24N4O/c1-3-33-26(32)22-12-14-23(15-13-22)28-27-30-24(17-20-9-5-4-6-10-20)29-25(31-27)18-21-11-7-8-19(2)16-21;1-3-20-11-4-5-12-21(20)17-25-29-24(16-19-10-8-9-18(2)15-19)30-26(31-25)28-23-14-7-6-13-22(23)27;1-18-6-12-23(13-7-18)27-26-29-24(15-20-8-10-21(17-31)11-9-20)28-25(30-26)16-22-5-3-4-19(2)14-22;1-18-9-6-7-14-22(18)26-25-28-23(16-19-10-4-3-5-11-19)27-24(29-25)17-20-12-8-13-21(15-20)30-2/h4-16H,3,17-18H2,1-2H3,(H,28,29,30,31);4-15H,3,16-17H2,1-2H3,(H,28,29,30,31);3-14,31H,15-17H2,1-2H3,(H,27,28,29,30);3-15H,16-17H2,1-2H3,(H,26,27,28,29)
• InChIKey: NFXMAILEUNEPJB-UHFFFAOYSA-N
• XLogP: 21.62
• TPSA: 258.56 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 20
• Rotatable Bonds: 29
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1674.51
LogP ≤ 5	21.62
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

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

The IUPAC name of 4-benzyl-6-[(3-methoxyphenyl)methyl]-N-(2-methylphenyl)-1,3,5-triazin-2-amine;N-(2-chlorophenyl)-4-[(2-ethylphenyl)methyl]-6-[(3-methylphenyl)methyl]-1,3,5-triazin-2-amine;ethyl 4-[[4-benzyl-6-[(3-methylphenyl)methyl]-1,3,5-triazin-2-yl]amino]benzoate;[4-[[4-(4-methylanilino)-6-[(3-methylphenyl)methyl]-1,3,5-triazin-2-yl]methyl]phenyl]methanol (CID 159769356) is 4-benzyl-6-[(3-methoxyphenyl)methyl]-N-(2-methylphenyl)-1,3,5-triazin-2-amine;N-(2-chlorophenyl)-4-[(2-ethylphenyl)methyl]-6-[(3-methylphenyl)methyl]-1,3,5-triazin-2-amine;ethyl 4-[[4-benzyl-6-[(3-methylphenyl)methyl]-1,3,5-triazin-2-yl]amino]benzoate;[4-[[4-(4-methylanilino)-6-[(3-methylphenyl)methyl]-1,3,5-triazin-2-yl]methyl]phenyl]methanol.

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

The canonical SMILES for 4-benzyl-6-[(3-methoxyphenyl)methyl]-N-(2-methylphenyl)-1,3,5-triazin-2-amine;N-(2-chlorophenyl)-4-[(2-ethylphenyl)methyl]-6-[(3-methylphenyl)methyl]-1,3,5-triazin-2-amine;ethyl 4-[[4-benzyl-6-[(3-methylphenyl)methyl]-1,3,5-triazin-2-yl]amino]benzoate;[4-[[4-(4-methylanilino)-6-[(3-methylphenyl)methyl]-1,3,5-triazin-2-yl]methyl]phenyl]methanol is CCOC(=O)c1ccc(Nc2nc(Cc3ccccc3)nc(Cc3cccc(C)c3)n2)cc1.CCc1ccccc1Cc1nc(Cc2cccc(C)c2)nc(Nc2ccccc2Cl)n1.COc1cccc(Cc2nc(Cc3ccccc3)nc(Nc3ccccc3C)n2)c1.Cc1ccc(Nc2nc(Cc3ccc(CO)cc3)nc(Cc3cccc(C)c3)n2)cc1.

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

The InChIKey is NFXMAILEUNEPJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O2.C26H25ClN4.C26H26N4O.C25H24N4O/c1-3-33-26(32)22-12-14-23(15-13-22)28-27-30-24(17-20-9-5-4-6-10-20)29-25(31-27)18-21-11-7-8-19(2)16-21;1-3-20-11-4-5-12-21(20)17-25-29-24(16-19-10-8-9-18(2)15-19)30-26(31-25)28-23-14-7-6-13-22(23)27;1-18-6-12-23(13-7-18)27-26-29-24(15-20-8-10-21(17-31)11-9-20)28-25(30-26)16-22-5-3-4-19(2)14-22;1-18-9-6-7-14-22(18)26-25-28-23(16-19-10-4-3-5-11-19)27-24(29-25)17-20-12-8-13-21(15-20)30-2/h4-16H,3,17-18H2,1-2H3,(H,28,29,30,31);4-15H,3,16-17H2,1-2H3,(H,28,29,30,31);3-14,31H,15-17H2,1-2H3,(H,27,28,29,30);3-15H,16-17H2,1-2H3,(H,26,27,28,29).

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

4-benzyl-6-[(3-methoxyphenyl)methyl]-N-(2-methylphenyl)-1,3,5-triazin-2-amine;N-(2-chlorophenyl)-4-[(2-ethylphenyl)methyl]-6-[(3-methylphenyl)methyl]-1,3,5-triazin-2-amine;ethyl 4-[[4-benzyl-6-[(3-methylphenyl)methyl]-1,3,5-triazin-2-yl]amino]benzoate;[4-[[4-(4-methylanilino)-6-[(3-methylphenyl)methyl]-1,3,5-triazin-2-yl]methyl]phenyl]methanol has a molecular weight of 1674.51 g/mol, XLogP of 21.62, 29 rotatable bonds, 5 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 4-benzyl-6-[(3-methoxyphenyl)methyl]-N-(2-methylphenyl)-1,3,5-triazin-2-amine;N-(2-chlorophenyl)-4-[(2-ethylphenyl)methyl]-6-[(3-methylphenyl)methyl]-1,3,5-triazin-2-amine;ethyl 4-[[4-benzyl-6-[(3-methylphenyl)methyl]-1,3,5-triazin-2-yl]amino]benzoate;[4-[[4-(4-methylanilino)-6-[(3-methylphenyl)methyl]-1,3,5-triazin-2-yl]methyl]phenyl]methanol is sourced from PubChem (CID 159769356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).