2-N-benzyl-6-methyl-4-N-(4-methylphenyl)-2-N-propyl-1,3,5-triazine-2,4-diamine

C21H25N5 — CID 10593782

IUPAC2-N-benzyl-6-methyl-4-N-(4-methylphenyl)-2-N-propyl-1,3,5-triazine-2,4-diamine
SMILESCCCN(Cc1ccccc1)c1nc(C)nc(Nc2ccc(C)cc2)n1
InChIInChI=1S/C21H25N5/c1-4-14-26(15-18-8-6-5-7-9-18)21-23-17(3)22-20(25-21)24-19-12-10-16(2)11-13-19/h5-13H,4,14-15H2,1-3H3,(H,22,23,24,25)
InChIKeyHWSXMSWUYSUOOJ-UHFFFAOYSA-N
MW347.47 g/mol
LogP4.65
Rot. Bonds7

About 2-N-benzyl-6-methyl-4-N-(4-methylphenyl)-2-N-propyl-1,3,5-triazine-2,4-diamine

2-N-benzyl-6-methyl-4-N-(4-methylphenyl)-2-N-propyl-1,3,5-triazine-2,4-diamine (PubChem CID 10593782) has the molecular formula C21H25N5 and a molecular weight of 347.47 g/mol. Its IUPAC name is 2-N-benzyl-6-methyl-4-N-(4-methylphenyl)-2-N-propyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-benzyl-6-methyl-4-N-(4-methylphenyl)-2-N-propyl-1,3,5-triazine-2,4-diamine
PubChem CID10593782
Molecular FormulaC21H25N5
Molecular Weight347.47 g/mol
Exact Mass347.21
IUPAC Name2-N-benzyl-6-methyl-4-N-(4-methylphenyl)-2-N-propyl-1,3,5-triazine-2,4-diamine
SMILESCCCN(Cc1ccccc1)c1nc(C)nc(Nc2ccc(C)cc2)n1
InChIInChI=1S/C21H25N5/c1-4-14-26(15-18-8-6-5-7-9-18)21-23-17(3)22-20(25-21)24-19-12-10-16(2)11-13-19/h5-13H,4,14-15H2,1-3H3,(H,22,23,24,25)
InChIKeyHWSXMSWUYSUOOJ-UHFFFAOYSA-N
XLogP4.65
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.47
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-N-benzyl-6-methyl-4-N-(4-methylphenyl)-2-N-propyl-1,3,5-triazine-2,4-diamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-N-benzyl-6-methyl-4-N-(4-methylphenyl)-2-N-propyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-benzyl-6-methyl-4-N-(4-methylphenyl)-2-N-propyl-1,3,5-triazine-2,4-diamine (CID 10593782) is 2-N-benzyl-6-methyl-4-N-(4-methylphenyl)-2-N-propyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-benzyl-6-methyl-4-N-(4-methylphenyl)-2-N-propyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-benzyl-6-methyl-4-N-(4-methylphenyl)-2-N-propyl-1,3,5-triazine-2,4-diamine is CCCN(Cc1ccccc1)c1nc(C)nc(Nc2ccc(C)cc2)n1.
What is the InChIKey of 2-N-benzyl-6-methyl-4-N-(4-methylphenyl)-2-N-propyl-1,3,5-triazine-2,4-diamine?
The InChIKey is HWSXMSWUYSUOOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5/c1-4-14-26(15-18-8-6-5-7-9-18)21-23-17(3)22-20(25-21)24-19-12-10-16(2)11-13-19/h5-13H,4,14-15H2,1-3H3,(H,22,23,24,25).
What are the key properties of 2-N-benzyl-6-methyl-4-N-(4-methylphenyl)-2-N-propyl-1,3,5-triazine-2,4-diamine?
2-N-benzyl-6-methyl-4-N-(4-methylphenyl)-2-N-propyl-1,3,5-triazine-2,4-diamine has a molecular weight of 347.47 g/mol, XLogP of 4.65, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-benzyl-6-methyl-4-N-(4-methylphenyl)-2-N-propyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 10593782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).