4-benzyl-6-[(3-methoxyphenyl)methyl]-N-(2-methylphenyl)-1,3,5-triazin-2-amine

C25H24N4O — CID 58090687

IUPAC4-benzyl-6-[(3-methoxyphenyl)methyl]-N-(2-methylphenyl)-1,3,5-triazin-2-amine
SMILESCOc1cccc(Cc2nc(Cc3ccccc3)nc(Nc3ccccc3C)n2)c1
InChIInChI=1S/C25H24N4O/c1-18-9-6-7-14-22(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/h3-15H,16-17H2,1-2H3,(H,26,27,28,29)
InChIKeyWOSHFKZWUUQNQU-UHFFFAOYSA-N
MW396.49 g/mol
LogP5.11
Rot. Bonds7

About 4-benzyl-6-[(3-methoxyphenyl)methyl]-N-(2-methylphenyl)-1,3,5-triazin-2-amine

4-benzyl-6-[(3-methoxyphenyl)methyl]-N-(2-methylphenyl)-1,3,5-triazin-2-amine (PubChem CID 58090687) has the molecular formula C25H24N4O and a molecular weight of 396.49 g/mol. Its IUPAC name is 4-benzyl-6-[(3-methoxyphenyl)methyl]-N-(2-methylphenyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-benzyl-6-[(3-methoxyphenyl)methyl]-N-(2-methylphenyl)-1,3,5-triazin-2-amine
PubChem CID58090687
Molecular FormulaC25H24N4O
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC Name4-benzyl-6-[(3-methoxyphenyl)methyl]-N-(2-methylphenyl)-1,3,5-triazin-2-amine
SMILESCOc1cccc(Cc2nc(Cc3ccccc3)nc(Nc3ccccc3C)n2)c1
InChIInChI=1S/C25H24N4O/c1-18-9-6-7-14-22(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/h3-15H,16-17H2,1-2H3,(H,26,27,28,29)
InChIKeyWOSHFKZWUUQNQU-UHFFFAOYSA-N
XLogP5.11
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.49
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-benzyl-6-[(3-methoxyphenyl)methyl]-N-(2-methylphenyl)-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

6-(4-methoxyphenyl)-2-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine
CID 164628688
6-[(4-benzylpiperazin-1-yl)methyl]-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 667344
2-Anilino-4-(3-methoxyphenyl)-6-phenylpyrimidine-5-carbonitrile
CID 166626097
6-[(4-benzylpiperidin-1-yl)methyl]-N-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 1397715
4-(4-methoxyphenyl)-6-propyl-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine
CID 164612435
4-ethyl-6-(4-methoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine
CID 164616445
4-(4-methoxyphenyl)-6-methyl-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine
CID 164627331
6-[[(4-ethoxyphenyl)methyl-methylamino]methyl]-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 9156171
6-[[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl-[(3,4-dimethoxyphenyl)methyl]amino]methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 42943005
6-(4-methoxyphenyl)-2-N-methyl-2-N-phenyl-4-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine
CID 164610876
4-(4-methoxyphenyl)-6-[2-(4-methylphenyl)ethynyl]-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine
CID 164611958
4-chloro-6-(3-methoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine
CID 164625519

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-6-[(3-methoxyphenyl)methyl]-N-(2-methylphenyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-benzyl-6-[(3-methoxyphenyl)methyl]-N-(2-methylphenyl)-1,3,5-triazin-2-amine (CID 58090687) is 4-benzyl-6-[(3-methoxyphenyl)methyl]-N-(2-methylphenyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-benzyl-6-[(3-methoxyphenyl)methyl]-N-(2-methylphenyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-benzyl-6-[(3-methoxyphenyl)methyl]-N-(2-methylphenyl)-1,3,5-triazin-2-amine is COc1cccc(Cc2nc(Cc3ccccc3)nc(Nc3ccccc3C)n2)c1.
What is the InChIKey of 4-benzyl-6-[(3-methoxyphenyl)methyl]-N-(2-methylphenyl)-1,3,5-triazin-2-amine?
The InChIKey is WOSHFKZWUUQNQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O/c1-18-9-6-7-14-22(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/h3-15H,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?
4-benzyl-6-[(3-methoxyphenyl)methyl]-N-(2-methylphenyl)-1,3,5-triazin-2-amine has a molecular weight of 396.49 g/mol, XLogP of 5.11, 7 rotatable bonds, 1 hydrogen bond donors, and 5 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 is sourced from PubChem (CID 58090687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).