2-N-(3-chloro-4-methylphenyl)-5-methylpyridine-2,4-diamine

C13H14ClN3 — CID 83266608

IUPAC2-N-(3-chloro-4-methylphenyl)-5-methylpyridine-2,4-diamine
SMILESCc1cnc(Nc2ccc(C)c(Cl)c2)cc1N
InChIInChI=1S/C13H14ClN3/c1-8-3-4-10(5-11(8)14)17-13-6-12(15)9(2)7-16-13/h3-7H,1-2H3,(H3,15,16,17)
InChIKeyAMTKGJIUTANDQC-UHFFFAOYSA-N
MW247.73 g/mol
LogP3.68
Rot. Bonds2

About 2-N-(3-chloro-4-methylphenyl)-5-methylpyridine-2,4-diamine

2-N-(3-chloro-4-methylphenyl)-5-methylpyridine-2,4-diamine (PubChem CID 83266608) has the molecular formula C13H14ClN3 and a molecular weight of 247.73 g/mol. Its IUPAC name is 2-N-(3-chloro-4-methylphenyl)-5-methylpyridine-2,4-diamine.

Molecular Properties

Compound Name2-N-(3-chloro-4-methylphenyl)-5-methylpyridine-2,4-diamine
PubChem CID83266608
Molecular FormulaC13H14ClN3
Molecular Weight247.73 g/mol
Exact Mass247.09
IUPAC Name2-N-(3-chloro-4-methylphenyl)-5-methylpyridine-2,4-diamine
SMILESCc1cnc(Nc2ccc(C)c(Cl)c2)cc1N
InChIInChI=1S/C13H14ClN3/c1-8-3-4-10(5-11(8)14)17-13-6-12(15)9(2)7-16-13/h3-7H,1-2H3,(H3,15,16,17)
InChIKeyAMTKGJIUTANDQC-UHFFFAOYSA-N
XLogP3.68
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.73
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-N-(3-chloro-4-methylphenyl)-5-methylpyridine-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

Related Compounds

2-N-(2,3-dihydro-1H-inden-5-yl)-5-methylpyridine-2,4-diamine
CID 83265215
4-[(4-amino-5-methyl-2-pyridinyl)amino]benzene-1,2-dicarbonitrile
CID 107787129
4-N-(3-chloro-4-methylphenyl)-2-methylbenzene-1,4-diamine
CID 43436245
4-[(4-amino-5-methyl-2-pyridinyl)amino]benzonitrile
CID 83266611
2-N-(3,4-dimethylphenyl)-4-methylpyridine-2,5-diamine
CID 79020766
4-[(4-amino-5-methyl-2-pyridinyl)amino]-2-bromobenzonitrile
CID 112736027
2-N-(4-chlorophenyl)-4-methylpyridine-2,5-diamine
CID 79021207
4-N-(3-chloro-4-methylphenyl)pyridine-3,4-diamine
CID 29066314
4-[(4-amino-5-methyl-2-pyridinyl)amino]-3-chlorobenzonitrile
CID 107807041
2-N-(2-bromo-4-chlorophenyl)-5-methylpyridine-2,4-diamine
CID 83265167
6-chloro-N-(3-chloro-4-methylphenyl)pyridin-2-amine
CID 63585961
N-[5-(3-chloro-4-methylanilino)-2-pyridinyl]methanesulfonamide
CID 113033646

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-chloro-4-methylphenyl)-5-methylpyridine-2,4-diamine?
The IUPAC name of 2-N-(3-chloro-4-methylphenyl)-5-methylpyridine-2,4-diamine (CID 83266608) is 2-N-(3-chloro-4-methylphenyl)-5-methylpyridine-2,4-diamine.
What is the SMILES notation for 2-N-(3-chloro-4-methylphenyl)-5-methylpyridine-2,4-diamine?
The canonical SMILES for 2-N-(3-chloro-4-methylphenyl)-5-methylpyridine-2,4-diamine is Cc1cnc(Nc2ccc(C)c(Cl)c2)cc1N.
What is the InChIKey of 2-N-(3-chloro-4-methylphenyl)-5-methylpyridine-2,4-diamine?
The InChIKey is AMTKGJIUTANDQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3/c1-8-3-4-10(5-11(8)14)17-13-6-12(15)9(2)7-16-13/h3-7H,1-2H3,(H3,15,16,17).
What are the key properties of 2-N-(3-chloro-4-methylphenyl)-5-methylpyridine-2,4-diamine?
2-N-(3-chloro-4-methylphenyl)-5-methylpyridine-2,4-diamine has a molecular weight of 247.73 g/mol, XLogP of 3.68, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-chloro-4-methylphenyl)-5-methylpyridine-2,4-diamine is sourced from PubChem (CID 83266608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).