2-N-benzyl-4,6-dimethylpyridine-2,3-diamine

C14H17N3 — CID 70993735

IUPAC2-N-benzyl-4,6-dimethylpyridine-2,3-diamine
SMILESCc1cc(C)c(N)c(NCc2ccccc2)n1
InChIInChI=1S/C14H17N3/c1-10-8-11(2)17-14(13(10)15)16-9-12-6-4-3-5-7-12/h3-8H,9,15H2,1-2H3,(H,16,17)
InChIKeyDCFIGBZSSWEFDM-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.89
Rot. Bonds3

About 2-N-benzyl-4,6-dimethylpyridine-2,3-diamine

2-N-benzyl-4,6-dimethylpyridine-2,3-diamine (PubChem CID 70993735) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is 2-N-benzyl-4,6-dimethylpyridine-2,3-diamine.

Molecular Properties

Compound Name2-N-benzyl-4,6-dimethylpyridine-2,3-diamine
PubChem CID70993735
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name2-N-benzyl-4,6-dimethylpyridine-2,3-diamine
SMILESCc1cc(C)c(N)c(NCc2ccccc2)n1
InChIInChI=1S/C14H17N3/c1-10-8-11(2)17-14(13(10)15)16-9-12-6-4-3-5-7-12/h3-8H,9,15H2,1-2H3,(H,16,17)
InChIKeyDCFIGBZSSWEFDM-UHFFFAOYSA-N
XLogP2.89
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-N-benzyl-4,6-dimethylpyridine-2,3-diamine 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

Blonanserin
CID 125564
Flupirtine
CID 53276
Quipazine
CID 5011
2-(Benzylamino)pyridine
CID 23362
4-Methyl-2-piperazin-1-yl-quinoline
CID 598754
2-Pyridinamine, 4-methyl-N-(phenylmethyl)-
CID 83053
N-Methylquipazine
CID 5013
2-Pyridinamine, 6-methyl-N-(phenylmethyl)-
CID 112445
N-cyclohexyl-4-methylpyridin-2-amine
CID 2366458
2-N-benzyl-4-N-butyl-6-methylpyrimidine-2,4-diamine
CID 659917
2-(4-Propyl-piperazin-1-yl)-quinoline
CID 11370427
3-Pyridinecarbonitrile, 4-(dimethylamino)-6-methyl-2-((phenylmethyl)amino)-
CID 660897

Frequently Asked Questions

What is the IUPAC name of 2-N-benzyl-4,6-dimethylpyridine-2,3-diamine?
The IUPAC name of 2-N-benzyl-4,6-dimethylpyridine-2,3-diamine (CID 70993735) is 2-N-benzyl-4,6-dimethylpyridine-2,3-diamine.
What is the SMILES notation for 2-N-benzyl-4,6-dimethylpyridine-2,3-diamine?
The canonical SMILES for 2-N-benzyl-4,6-dimethylpyridine-2,3-diamine is Cc1cc(C)c(N)c(NCc2ccccc2)n1.
What is the InChIKey of 2-N-benzyl-4,6-dimethylpyridine-2,3-diamine?
The InChIKey is DCFIGBZSSWEFDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-10-8-11(2)17-14(13(10)15)16-9-12-6-4-3-5-7-12/h3-8H,9,15H2,1-2H3,(H,16,17).
What are the key properties of 2-N-benzyl-4,6-dimethylpyridine-2,3-diamine?
2-N-benzyl-4,6-dimethylpyridine-2,3-diamine has a molecular weight of 227.31 g/mol, XLogP of 2.89, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-benzyl-4,6-dimethylpyridine-2,3-diamine is sourced from PubChem (CID 70993735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).