2-chloro-6-(4-ethylphenyl)pyrimidine-4-carbonitrile

C13H10ClN3 — CID 39347922

IUPAC2-chloro-6-(4-ethylphenyl)pyrimidine-4-carbonitrile
SMILESCCc1ccc(-c2cc(C#N)nc(Cl)n2)cc1
InChIInChI=1S/C13H10ClN3/c1-2-9-3-5-10(6-4-9)12-7-11(8-15)16-13(14)17-12/h3-7H,2H2,1H3
InChIKeyUPDLFBMFVNGJNW-UHFFFAOYSA-N
MW243.70 g/mol
LogP3.23
Rot. Bonds2

About 2-chloro-6-(4-ethylphenyl)pyrimidine-4-carbonitrile

2-chloro-6-(4-ethylphenyl)pyrimidine-4-carbonitrile (PubChem CID 39347922) has the molecular formula C13H10ClN3 and a molecular weight of 243.70 g/mol. Its IUPAC name is 2-chloro-6-(4-ethylphenyl)pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name2-chloro-6-(4-ethylphenyl)pyrimidine-4-carbonitrile
PubChem CID39347922
Molecular FormulaC13H10ClN3
Molecular Weight243.70 g/mol
Exact Mass243.06
IUPAC Name2-chloro-6-(4-ethylphenyl)pyrimidine-4-carbonitrile
SMILESCCc1ccc(-c2cc(C#N)nc(Cl)n2)cc1
InChIInChI=1S/C13H10ClN3/c1-2-9-3-5-10(6-4-9)12-7-11(8-15)16-13(14)17-12/h3-7H,2H2,1H3
InChIKeyUPDLFBMFVNGJNW-UHFFFAOYSA-N
XLogP3.23
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.70
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-chloro-6-(4-ethylphenyl)pyrimidine-4-carbonitrile 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-6-(3,4-dimethoxyphenyl)pyrimidine-4-carbonitrile
CID 39374773
4-(4-ethylphenyl)pyrimidine-2-carbonitrile
CID 116900792
4-chloro-6-(4-ethylphenyl)pyrimidin-2-amine
CID 24743463
2-amino-4-(2,4-dichlorophenyl)-6-(4-ethylphenyl)pyridine-3-carbonitrile
CID 4636737
2-amino-6-(3,4-dichlorophenyl)-4-(4-ethylphenyl)pyridine-3-carbonitrile
CID 3523944
6-(4-ethylphenyl)-2-methylpyridine-3-carbonitrile
CID 82452489
2-amino-4-(4-chloro-3-fluorophenyl)-6-(4-ethylphenyl)pyridine-3-carbonitrile
CID 4636733
2-amino-6-(4-ethylphenyl)pyridine-3-carbonitrile
CID 62198217
2-(dimethylamino)-6-(4-fluorophenyl)pyrimidine-4-carbonitrile
CID 39346399
2-amino-6-(4-ethoxyphenyl)-4-(4-ethylphenyl)pyridine-3-carbonitrile
CID 5153870
2-[4-(4-ethylphenyl)-6-methylpyrimidin-2-yl]-2-methylpropanenitrile
CID 116895284
2-chloro-6-(4-ethylphenyl)-4,5-dimethylpyridine-3-carbonitrile
CID 94280813

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(4-ethylphenyl)pyrimidine-4-carbonitrile?
The IUPAC name of 2-chloro-6-(4-ethylphenyl)pyrimidine-4-carbonitrile (CID 39347922) is 2-chloro-6-(4-ethylphenyl)pyrimidine-4-carbonitrile.
What is the SMILES notation for 2-chloro-6-(4-ethylphenyl)pyrimidine-4-carbonitrile?
The canonical SMILES for 2-chloro-6-(4-ethylphenyl)pyrimidine-4-carbonitrile is CCc1ccc(-c2cc(C#N)nc(Cl)n2)cc1.
What is the InChIKey of 2-chloro-6-(4-ethylphenyl)pyrimidine-4-carbonitrile?
The InChIKey is UPDLFBMFVNGJNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3/c1-2-9-3-5-10(6-4-9)12-7-11(8-15)16-13(14)17-12/h3-7H,2H2,1H3.
What are the key properties of 2-chloro-6-(4-ethylphenyl)pyrimidine-4-carbonitrile?
2-chloro-6-(4-ethylphenyl)pyrimidine-4-carbonitrile has a molecular weight of 243.70 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(4-ethylphenyl)pyrimidine-4-carbonitrile is sourced from PubChem (CID 39347922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).