2-N,4-N-dimethyl-6-(2-methylphenyl)-1,3,5-triazine-2,4-diamine

C12H15N5 — CID 154968468

IUPAC2-N,4-N-dimethyl-6-(2-methylphenyl)-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(NC)nc(-c2ccccc2C)n1
InChIInChI=1S/C12H15N5/c1-8-6-4-5-7-9(8)10-15-11(13-2)17-12(14-3)16-10/h4-7H,1-3H3,(H2,13,14,15,16,17)
InChIKeyVKVFQFRTHTYHMG-UHFFFAOYSA-N
MW229.29 g/mol
LogP1.93
Rot. Bonds3

About 2-N,4-N-dimethyl-6-(2-methylphenyl)-1,3,5-triazine-2,4-diamine

2-N,4-N-dimethyl-6-(2-methylphenyl)-1,3,5-triazine-2,4-diamine (PubChem CID 154968468) has the molecular formula C12H15N5 and a molecular weight of 229.29 g/mol. Its IUPAC name is 2-N,4-N-dimethyl-6-(2-methylphenyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-dimethyl-6-(2-methylphenyl)-1,3,5-triazine-2,4-diamine
PubChem CID154968468
Molecular FormulaC12H15N5
Molecular Weight229.29 g/mol
Exact Mass229.13
IUPAC Name2-N,4-N-dimethyl-6-(2-methylphenyl)-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(NC)nc(-c2ccccc2C)n1
InChIInChI=1S/C12H15N5/c1-8-6-4-5-7-9(8)10-15-11(13-2)17-12(14-3)16-10/h4-7H,1-3H3,(H2,13,14,15,16,17)
InChIKeyVKVFQFRTHTYHMG-UHFFFAOYSA-N
XLogP1.93
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.29
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-N,4-N-dimethyl-6-(2-methylphenyl)-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,4-N-dimethyl-6-(2-methylphenyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,4-N-dimethyl-6-(2-methylphenyl)-1,3,5-triazine-2,4-diamine (CID 154968468) is 2-N,4-N-dimethyl-6-(2-methylphenyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,4-N-dimethyl-6-(2-methylphenyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,4-N-dimethyl-6-(2-methylphenyl)-1,3,5-triazine-2,4-diamine is CNc1nc(NC)nc(-c2ccccc2C)n1.
What is the InChIKey of 2-N,4-N-dimethyl-6-(2-methylphenyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is VKVFQFRTHTYHMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5/c1-8-6-4-5-7-9(8)10-15-11(13-2)17-12(14-3)16-10/h4-7H,1-3H3,(H2,13,14,15,16,17).
What are the key properties of 2-N,4-N-dimethyl-6-(2-methylphenyl)-1,3,5-triazine-2,4-diamine?
2-N,4-N-dimethyl-6-(2-methylphenyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 229.29 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-dimethyl-6-(2-methylphenyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 154968468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).