4-chloro-N-(3-ethylphenyl)-6-methylpyrimidin-2-amine

C13H14ClN3 — CID 58910370

IUPAC4-chloro-N-(3-ethylphenyl)-6-methylpyrimidin-2-amine
SMILESCCc1cccc(Nc2nc(C)cc(Cl)n2)c1
InChIInChI=1S/C13H14ClN3/c1-3-10-5-4-6-11(8-10)16-13-15-9(2)7-12(14)17-13/h4-8H,3H2,1-2H3,(H,15,16,17)
InChIKeyDSZATTNOBVSNCS-UHFFFAOYSA-N
MW247.73 g/mol
LogP3.74
Rot. Bonds3

About 4-chloro-N-(3-ethylphenyl)-6-methylpyrimidin-2-amine

4-chloro-N-(3-ethylphenyl)-6-methylpyrimidin-2-amine (PubChem CID 58910370) has the molecular formula C13H14ClN3 and a molecular weight of 247.73 g/mol. Its IUPAC name is 4-chloro-N-(3-ethylphenyl)-6-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-N-(3-ethylphenyl)-6-methylpyrimidin-2-amine
PubChem CID58910370
Molecular FormulaC13H14ClN3
Molecular Weight247.73 g/mol
Exact Mass247.09
IUPAC Name4-chloro-N-(3-ethylphenyl)-6-methylpyrimidin-2-amine
SMILESCCc1cccc(Nc2nc(C)cc(Cl)n2)c1
InChIInChI=1S/C13H14ClN3/c1-3-10-5-4-6-11(8-10)16-13-15-9(2)7-12(14)17-13/h4-8H,3H2,1-2H3,(H,15,16,17)
InChIKeyDSZATTNOBVSNCS-UHFFFAOYSA-N
XLogP3.74
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.73
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-chloro-N-(3-ethylphenyl)-6-methylpyrimidin-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

2-chloro-N-(3-ethylphenyl)-6-methylpyridin-3-amine
CID 139400879
N-(4-butylphenyl)-4-chloro-6-methylpyrimidin-2-amine
CID 12578912
2-(3-chloroanilino)-N-(4-ethylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109336307
6-chloro-2-N-(3-ethylphenyl)pyridine-2,3-diamine
CID 113316737
6-chloro-N-(3-ethylphenyl)-4,5-dimethylpyridazin-3-amine
CID 63549060
N-(3-ethylphenyl)-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine
CID 80927507
2-N-(3-chlorophenyl)-4-N,4-N-diethyl-6-methylpyrimidine-2,4-diamine
CID 112924119
3-ethyl-N-(4-methylphenyl)aniline
CID 139833776
2-(4-ethylanilino)-6-methyl-N-phenylpyrimidine-4-carboxamide
CID 109334637
2-N-(4-chlorophenyl)-4-N-(4-ethylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112928668
4-N-(4-chlorophenyl)-2-N-(4-ethylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112928718
2-(3-cyanoanilino)-N-(4-ethylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109336338

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3-ethylphenyl)-6-methylpyrimidin-2-amine?
The IUPAC name of 4-chloro-N-(3-ethylphenyl)-6-methylpyrimidin-2-amine (CID 58910370) is 4-chloro-N-(3-ethylphenyl)-6-methylpyrimidin-2-amine.
What is the SMILES notation for 4-chloro-N-(3-ethylphenyl)-6-methylpyrimidin-2-amine?
The canonical SMILES for 4-chloro-N-(3-ethylphenyl)-6-methylpyrimidin-2-amine is CCc1cccc(Nc2nc(C)cc(Cl)n2)c1.
What is the InChIKey of 4-chloro-N-(3-ethylphenyl)-6-methylpyrimidin-2-amine?
The InChIKey is DSZATTNOBVSNCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3/c1-3-10-5-4-6-11(8-10)16-13-15-9(2)7-12(14)17-13/h4-8H,3H2,1-2H3,(H,15,16,17).
What are the key properties of 4-chloro-N-(3-ethylphenyl)-6-methylpyrimidin-2-amine?
4-chloro-N-(3-ethylphenyl)-6-methylpyrimidin-2-amine has a molecular weight of 247.73 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3-ethylphenyl)-6-methylpyrimidin-2-amine is sourced from PubChem (CID 58910370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).