4-chloro-2-ethyl-6-(5-methylthiophen-3-yl)pyrimidine

C11H11ClN2S — CID 80936398

IUPAC4-chloro-2-ethyl-6-(5-methylthiophen-3-yl)pyrimidine
SMILESCCc1nc(Cl)cc(-c2csc(C)c2)n1
InChIInChI=1S/C11H11ClN2S/c1-3-11-13-9(5-10(12)14-11)8-4-7(2)15-6-8/h4-6H,3H2,1-2H3
InChIKeyAMGWTLYQPVVGRZ-UHFFFAOYSA-N
MW238.74 g/mol
LogP3.73
Rot. Bonds2

About 4-chloro-2-ethyl-6-(5-methylthiophen-3-yl)pyrimidine

4-chloro-2-ethyl-6-(5-methylthiophen-3-yl)pyrimidine (PubChem CID 80936398) has the molecular formula C11H11ClN2S and a molecular weight of 238.74 g/mol. Its IUPAC name is 4-chloro-2-ethyl-6-(5-methylthiophen-3-yl)pyrimidine.

Molecular Properties

Compound Name4-chloro-2-ethyl-6-(5-methylthiophen-3-yl)pyrimidine
PubChem CID80936398
Molecular FormulaC11H11ClN2S
Molecular Weight238.74 g/mol
Exact Mass238.03
IUPAC Name4-chloro-2-ethyl-6-(5-methylthiophen-3-yl)pyrimidine
SMILESCCc1nc(Cl)cc(-c2csc(C)c2)n1
InChIInChI=1S/C11H11ClN2S/c1-3-11-13-9(5-10(12)14-11)8-4-7(2)15-6-8/h4-6H,3H2,1-2H3
InChIKeyAMGWTLYQPVVGRZ-UHFFFAOYSA-N
XLogP3.73
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.74
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-chloro-2-ethyl-6-(5-methylthiophen-3-yl)pyrimidine 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 4-chloro-2-ethyl-6-(5-methylthiophen-3-yl)pyrimidine?
The IUPAC name of 4-chloro-2-ethyl-6-(5-methylthiophen-3-yl)pyrimidine (CID 80936398) is 4-chloro-2-ethyl-6-(5-methylthiophen-3-yl)pyrimidine.
What is the SMILES notation for 4-chloro-2-ethyl-6-(5-methylthiophen-3-yl)pyrimidine?
The canonical SMILES for 4-chloro-2-ethyl-6-(5-methylthiophen-3-yl)pyrimidine is CCc1nc(Cl)cc(-c2csc(C)c2)n1.
What is the InChIKey of 4-chloro-2-ethyl-6-(5-methylthiophen-3-yl)pyrimidine?
The InChIKey is AMGWTLYQPVVGRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2S/c1-3-11-13-9(5-10(12)14-11)8-4-7(2)15-6-8/h4-6H,3H2,1-2H3.
What are the key properties of 4-chloro-2-ethyl-6-(5-methylthiophen-3-yl)pyrimidine?
4-chloro-2-ethyl-6-(5-methylthiophen-3-yl)pyrimidine has a molecular weight of 238.74 g/mol, XLogP of 3.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-ethyl-6-(5-methylthiophen-3-yl)pyrimidine is sourced from PubChem (CID 80936398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).