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

C104H101ClN16O2 — CID 158840328

IUPAC4-benzyl-N-(3-methylphenyl)-6-[(4-methylphenyl)methyl]-1,3,5-triazin-2-amine;N-(2-chlorophenyl)-4-[(3-methylphenyl)methyl]-6-[(4-methylphenyl)methyl]-1,3,5-triazin-2-amine;ethyl 4-[[4-[(3-methylphenyl)methyl]-6-[(4-methylphenyl)methyl]-1,3,5-triazin-2-yl]amino]benzoate;N-(2-methylphenyl)-4-[(3-methylphenyl)methyl]-6-[(4-methylphenyl)methyl]-1,3,5-triazin-2-amine
SMILESCCOC(=O)c1ccc(Nc2nc(Cc3ccc(C)cc3)nc(Cc3cccc(C)c3)n2)cc1.Cc1ccc(Cc2nc(Cc3cccc(C)c3)nc(Nc3ccccc3C)n2)cc1.Cc1ccc(Cc2nc(Cc3cccc(C)c3)nc(Nc3ccccc3Cl)n2)cc1.Cc1ccc(Cc2nc(Cc3ccccc3)nc(Nc3cccc(C)c3)n2)cc1
InChIInChI=1S/C28H28N4O2.C26H26N4.C25H23ClN4.C25H24N4/c1-4-34-27(33)23-12-14-24(15-13-23)29-28-31-25(17-21-10-8-19(2)9-11-21)30-26(32-28)18-22-7-5-6-20(3)16-22;1-18-11-13-21(14-12-18)16-24-28-25(17-22-9-6-7-19(2)15-22)30-26(29-24)27-23-10-5-4-8-20(23)3;1-17-10-12-19(13-11-17)15-23-28-24(16-20-7-5-6-18(2)14-20)30-25(29-23)27-22-9-4-3-8-21(22)26;1-18-11-13-21(14-12-18)17-24-27-23(16-20-8-4-3-5-9-20)28-25(29-24)26-22-10-6-7-19(2)15-22/h5-16H,4,17-18H2,1-3H3,(H,29,30,31,32);4-15H,16-17H2,1-3H3,(H,27,28,29,30);3-14H,15-16H2,1-2H3,(H,27,28,29,30);3-15H,16-17H2,1-2H3,(H,26,27,28,29)
InChIKeyIYDSDHYIZLWSFB-UHFFFAOYSA-N
MW1642.51 g/mol
LogP22.79
Rot. Bonds26

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

4-benzyl-N-(3-methylphenyl)-6-[(4-methylphenyl)methyl]-1,3,5-triazin-2-amine;N-(2-chlorophenyl)-4-[(3-methylphenyl)methyl]-6-[(4-methylphenyl)methyl]-1,3,5-triazin-2-amine;ethyl 4-[[4-[(3-methylphenyl)methyl]-6-[(4-methylphenyl)methyl]-1,3,5-triazin-2-yl]amino]benzoate;N-(2-methylphenyl)-4-[(3-methylphenyl)methyl]-6-[(4-methylphenyl)methyl]-1,3,5-triazin-2-amine (PubChem CID 158840328) has the molecular formula C104H101ClN16O2 and a molecular weight of 1642.51 g/mol. Its IUPAC name is 4-benzyl-N-(3-methylphenyl)-6-[(4-methylphenyl)methyl]-1,3,5-triazin-2-amine;N-(2-chlorophenyl)-4-[(3-methylphenyl)methyl]-6-[(4-methylphenyl)methyl]-1,3,5-triazin-2-amine;ethyl 4-[[4-[(3-methylphenyl)methyl]-6-[(4-methylphenyl)methyl]-1,3,5-triazin-2-yl]amino]benzoate;N-(2-methylphenyl)-4-[(3-methylphenyl)methyl]-6-[(4-methylphenyl)methyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-benzyl-N-(3-methylphenyl)-6-[(4-methylphenyl)methyl]-1,3,5-triazin-2-amine;N-(2-chlorophenyl)-4-[(3-methylphenyl)methyl]-6-[(4-methylphenyl)methyl]-1,3,5-triazin-2-amine;ethyl 4-[[4-[(3-methylphenyl)methyl]-6-[(4-methylphenyl)methyl]-1,3,5-triazin-2-yl]amino]benzoate;N-(2-methylphenyl)-4-[(3-methylphenyl)methyl]-6-[(4-methylphenyl)methyl]-1,3,5-triazin-2-amine
PubChem CID158840328
Molecular FormulaC104H101ClN16O2
Molecular Weight1642.51 g/mol
Exact Mass1640.80
IUPAC Name4-benzyl-N-(3-methylphenyl)-6-[(4-methylphenyl)methyl]-1,3,5-triazin-2-amine;N-(2-chlorophenyl)-4-[(3-methylphenyl)methyl]-6-[(4-methylphenyl)methyl]-1,3,5-triazin-2-amine;ethyl 4-[[4-[(3-methylphenyl)methyl]-6-[(4-methylphenyl)methyl]-1,3,5-triazin-2-yl]amino]benzoate;N-(2-methylphenyl)-4-[(3-methylphenyl)methyl]-6-[(4-methylphenyl)methyl]-1,3,5-triazin-2-amine
SMILESCCOC(=O)c1ccc(Nc2nc(Cc3ccc(C)cc3)nc(Cc3cccc(C)c3)n2)cc1.Cc1ccc(Cc2nc(Cc3cccc(C)c3)nc(Nc3ccccc3C)n2)cc1.Cc1ccc(Cc2nc(Cc3cccc(C)c3)nc(Nc3ccccc3Cl)n2)cc1.Cc1ccc(Cc2nc(Cc3ccccc3)nc(Nc3cccc(C)c3)n2)cc1
InChIInChI=1S/C28H28N4O2.C26H26N4.C25H23ClN4.C25H24N4/c1-4-34-27(33)23-12-14-24(15-13-23)29-28-31-25(17-21-10-8-19(2)9-11-21)30-26(32-28)18-22-7-5-6-20(3)16-22;1-18-11-13-21(14-12-18)16-24-28-25(17-22-9-6-7-19(2)15-22)30-26(29-24)27-23-10-5-4-8-20(23)3;1-17-10-12-19(13-11-17)15-23-28-24(16-20-7-5-6-18(2)14-20)30-25(29-23)27-22-9-4-3-8-21(22)26;1-18-11-13-21(14-12-18)17-24-27-23(16-20-8-4-3-5-9-20)28-25(29-24)26-22-10-6-7-19(2)15-22/h5-16H,4,17-18H2,1-3H3,(H,29,30,31,32);4-15H,16-17H2,1-3H3,(H,27,28,29,30);3-14H,15-16H2,1-2H3,(H,27,28,29,30);3-15H,16-17H2,1-2H3,(H,26,27,28,29)
InChIKeyIYDSDHYIZLWSFB-UHFFFAOYSA-N
XLogP22.79
TPSA229.10 Ų
H-Bond Donors4
H-Bond Acceptors18
Rotatable Bonds26
Heavy Atoms123
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001642.51
LogP ≤ 522.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1018

Analyze 4-benzyl-N-(3-methylphenyl)-6-[(4-methylphenyl)methyl]-1,3,5-triazin-2-amine;N-(2-chlorophenyl)-4-[(3-methylphenyl)methyl]-6-[(4-methylphenyl)methyl]-1,3,5-triazin-2-amine;ethyl 4-[[4-[(3-methylphenyl)methyl]-6-[(4-methylphenyl)methyl]-1,3,5-triazin-2-yl]amino]benzoate;N-(2-methylphenyl)-4-[(3-methylphenyl)methyl]-6-[(4-methylphenyl)methyl]-1,3,5-triazin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Ethyl 4-[[4-[4-[4-amino-6-(4-ethoxycarbonylanilino)-1,3,5-triazin-2-yl]cyclohexyl]-6-(4-ethoxycarbonylanilino)-1,3,5-triazin-2-yl]amino]benzoate
CID 54305613
Ethyl 4-[[4-[4-[4,6-bis(4-ethoxycarbonylanilino)-1,3,5-triazin-2-yl]cyclohexyl]-6-(4-ethoxycarbonylanilino)-1,3,5-triazin-2-yl]amino]benzoate
CID 57313597
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 123210798
2-Ethylhexyl 4-[[4,6-bis[4-(2-ethylhexoxycarbonyl)anilino]-1,3,5-triazin-2-yl]methyl]benzoate;tetradecyl 4-[[4,6-bis(4-tetradecoxycarbonylanilino)-1,3,5-triazin-2-yl]amino]benzoate
CID 123309271
N-(2-chlorophenyl)-4-[(3-methylphenyl)methyl]-6-[(4-methylphenyl)methyl]-1,3,5-triazin-2-amine;ethyl 4-[[4-[(3-methylphenyl)methyl]-6-[(4-methylphenyl)methyl]-1,3,5-triazin-2-yl]amino]benzoate
CID 123417130
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]benzaldehyde
CID 123509365
2-Ethylhexyl 4-[[4-(4-acetylanilino)-6-(4-heptan-3-yloxycarbonylanilino)-1,3,5-triazin-2-yl]amino]benzoate;2-ethylhexyl 4-[[4,6-bis[4-(2-ethylhexoxycarbonyl)anilino]-1,3,5-triazin-2-yl]methyl]benzoate;tetradecyl 4-[[4,6-bis(4-tetradecoxycarbonylanilino)-1,3,5-triazin-2-yl]amino]benzoate
CID 123555202
ethyl 4-[[4,6-bis[(3-methylphenyl)methyl]-1,3,5-triazin-2-yl]amino]benzoate;N-(2-ethylphenyl)-4,6-bis[(3-methylphenyl)methyl]-1,3,5-triazin-2-amine
CID 123573578
4-[(2-chlorophenyl)methyl]-N-(2-ethylphenyl)-6-[(2-methylphenyl)methyl]-1,3,5-triazin-2-amine;ethyl 4-[[4-[(4-methoxyphenyl)methyl]-6-[(4-methylphenyl)methyl]-1,3,5-triazin-2-yl]amino]benzoate
CID 123588992
Carbon dioxide;ethyl 4-[[4,6-bis[(4-methylphenyl)methyl]-1,3,5-triazin-2-yl]amino]benzoate;ethyl 4-[[4-[(4-ethylphenyl)methyl]-6-(3-methylanilino)-1,3,5-triazin-2-yl]methyl]benzoate
CID 123694001
N-(2,4-dimethylphenyl)-4,6-bis[(3-methylphenyl)methyl]-1,3,5-triazin-2-amine;ethyl 4-[[4,6-bis[(3-methylphenyl)methyl]-1,3,5-triazin-2-yl]amino]benzoate
CID 123709043
butyl 4-[[4,6-bis(4-butoxycarbonylanilino)-1,3,5-triazin-2-yl]amino]benzoate;4,6-dichloro-N-(2-chlorophenyl)-1,3,5-triazin-2-amine
CID 137541477

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N-(3-methylphenyl)-6-[(4-methylphenyl)methyl]-1,3,5-triazin-2-amine;N-(2-chlorophenyl)-4-[(3-methylphenyl)methyl]-6-[(4-methylphenyl)methyl]-1,3,5-triazin-2-amine;ethyl 4-[[4-[(3-methylphenyl)methyl]-6-[(4-methylphenyl)methyl]-1,3,5-triazin-2-yl]amino]benzoate;N-(2-methylphenyl)-4-[(3-methylphenyl)methyl]-6-[(4-methylphenyl)methyl]-1,3,5-triazin-2-amine?
The IUPAC name of 4-benzyl-N-(3-methylphenyl)-6-[(4-methylphenyl)methyl]-1,3,5-triazin-2-amine;N-(2-chlorophenyl)-4-[(3-methylphenyl)methyl]-6-[(4-methylphenyl)methyl]-1,3,5-triazin-2-amine;ethyl 4-[[4-[(3-methylphenyl)methyl]-6-[(4-methylphenyl)methyl]-1,3,5-triazin-2-yl]amino]benzoate;N-(2-methylphenyl)-4-[(3-methylphenyl)methyl]-6-[(4-methylphenyl)methyl]-1,3,5-triazin-2-amine (CID 158840328) is 4-benzyl-N-(3-methylphenyl)-6-[(4-methylphenyl)methyl]-1,3,5-triazin-2-amine;N-(2-chlorophenyl)-4-[(3-methylphenyl)methyl]-6-[(4-methylphenyl)methyl]-1,3,5-triazin-2-amine;ethyl 4-[[4-[(3-methylphenyl)methyl]-6-[(4-methylphenyl)methyl]-1,3,5-triazin-2-yl]amino]benzoate;N-(2-methylphenyl)-4-[(3-methylphenyl)methyl]-6-[(4-methylphenyl)methyl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-benzyl-N-(3-methylphenyl)-6-[(4-methylphenyl)methyl]-1,3,5-triazin-2-amine;N-(2-chlorophenyl)-4-[(3-methylphenyl)methyl]-6-[(4-methylphenyl)methyl]-1,3,5-triazin-2-amine;ethyl 4-[[4-[(3-methylphenyl)methyl]-6-[(4-methylphenyl)methyl]-1,3,5-triazin-2-yl]amino]benzoate;N-(2-methylphenyl)-4-[(3-methylphenyl)methyl]-6-[(4-methylphenyl)methyl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-benzyl-N-(3-methylphenyl)-6-[(4-methylphenyl)methyl]-1,3,5-triazin-2-amine;N-(2-chlorophenyl)-4-[(3-methylphenyl)methyl]-6-[(4-methylphenyl)methyl]-1,3,5-triazin-2-amine;ethyl 4-[[4-[(3-methylphenyl)methyl]-6-[(4-methylphenyl)methyl]-1,3,5-triazin-2-yl]amino]benzoate;N-(2-methylphenyl)-4-[(3-methylphenyl)methyl]-6-[(4-methylphenyl)methyl]-1,3,5-triazin-2-amine is CCOC(=O)c1ccc(Nc2nc(Cc3ccc(C)cc3)nc(Cc3cccc(C)c3)n2)cc1.Cc1ccc(Cc2nc(Cc3cccc(C)c3)nc(Nc3ccccc3C)n2)cc1.Cc1ccc(Cc2nc(Cc3cccc(C)c3)nc(Nc3ccccc3Cl)n2)cc1.Cc1ccc(Cc2nc(Cc3ccccc3)nc(Nc3cccc(C)c3)n2)cc1.
What is the InChIKey of 4-benzyl-N-(3-methylphenyl)-6-[(4-methylphenyl)methyl]-1,3,5-triazin-2-amine;N-(2-chlorophenyl)-4-[(3-methylphenyl)methyl]-6-[(4-methylphenyl)methyl]-1,3,5-triazin-2-amine;ethyl 4-[[4-[(3-methylphenyl)methyl]-6-[(4-methylphenyl)methyl]-1,3,5-triazin-2-yl]amino]benzoate;N-(2-methylphenyl)-4-[(3-methylphenyl)methyl]-6-[(4-methylphenyl)methyl]-1,3,5-triazin-2-amine?
The InChIKey is IYDSDHYIZLWSFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N4O2.C26H26N4.C25H23ClN4.C25H24N4/c1-4-34-27(33)23-12-14-24(15-13-23)29-28-31-25(17-21-10-8-19(2)9-11-21)30-26(32-28)18-22-7-5-6-20(3)16-22;1-18-11-13-21(14-12-18)16-24-28-25(17-22-9-6-7-19(2)15-22)30-26(29-24)27-23-10-5-4-8-20(23)3;1-17-10-12-19(13-11-17)15-23-28-24(16-20-7-5-6-18(2)14-20)30-25(29-23)27-22-9-4-3-8-21(22)26;1-18-11-13-21(14-12-18)17-24-27-23(16-20-8-4-3-5-9-20)28-25(29-24)26-22-10-6-7-19(2)15-22/h5-16H,4,17-18H2,1-3H3,(H,29,30,31,32);4-15H,16-17H2,1-3H3,(H,27,28,29,30);3-14H,15-16H2,1-2H3,(H,27,28,29,30);3-15H,16-17H2,1-2H3,(H,26,27,28,29).
What are the key properties of 4-benzyl-N-(3-methylphenyl)-6-[(4-methylphenyl)methyl]-1,3,5-triazin-2-amine;N-(2-chlorophenyl)-4-[(3-methylphenyl)methyl]-6-[(4-methylphenyl)methyl]-1,3,5-triazin-2-amine;ethyl 4-[[4-[(3-methylphenyl)methyl]-6-[(4-methylphenyl)methyl]-1,3,5-triazin-2-yl]amino]benzoate;N-(2-methylphenyl)-4-[(3-methylphenyl)methyl]-6-[(4-methylphenyl)methyl]-1,3,5-triazin-2-amine?
4-benzyl-N-(3-methylphenyl)-6-[(4-methylphenyl)methyl]-1,3,5-triazin-2-amine;N-(2-chlorophenyl)-4-[(3-methylphenyl)methyl]-6-[(4-methylphenyl)methyl]-1,3,5-triazin-2-amine;ethyl 4-[[4-[(3-methylphenyl)methyl]-6-[(4-methylphenyl)methyl]-1,3,5-triazin-2-yl]amino]benzoate;N-(2-methylphenyl)-4-[(3-methylphenyl)methyl]-6-[(4-methylphenyl)methyl]-1,3,5-triazin-2-amine has a molecular weight of 1642.51 g/mol, XLogP of 22.79, 26 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N-(3-methylphenyl)-6-[(4-methylphenyl)methyl]-1,3,5-triazin-2-amine;N-(2-chlorophenyl)-4-[(3-methylphenyl)methyl]-6-[(4-methylphenyl)methyl]-1,3,5-triazin-2-amine;ethyl 4-[[4-[(3-methylphenyl)methyl]-6-[(4-methylphenyl)methyl]-1,3,5-triazin-2-yl]amino]benzoate;N-(2-methylphenyl)-4-[(3-methylphenyl)methyl]-6-[(4-methylphenyl)methyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 158840328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).