5-chloro-2-ethenyl-4-(2-methylpyrimidin-5-yl)pyrimidine

C11H9ClN4 — CID 156842677

IUPAC5-chloro-2-ethenyl-4-(2-methylpyrimidin-5-yl)pyrimidine
SMILESC=Cc1ncc(Cl)c(-c2cnc(C)nc2)n1
InChIInChI=1S/C11H9ClN4/c1-3-10-15-6-9(12)11(16-10)8-4-13-7(2)14-5-8/h3-6H,1H2,2H3
InChIKeyCNYNCFILTIQWSB-UHFFFAOYSA-N
MW232.67 g/mol
LogP2.54
Rot. Bonds2

About 5-chloro-2-ethenyl-4-(2-methylpyrimidin-5-yl)pyrimidine

5-chloro-2-ethenyl-4-(2-methylpyrimidin-5-yl)pyrimidine (PubChem CID 156842677) has the molecular formula C11H9ClN4 and a molecular weight of 232.67 g/mol. Its IUPAC name is 5-chloro-2-ethenyl-4-(2-methylpyrimidin-5-yl)pyrimidine.

Molecular Properties

Compound Name5-chloro-2-ethenyl-4-(2-methylpyrimidin-5-yl)pyrimidine
PubChem CID156842677
Molecular FormulaC11H9ClN4
Molecular Weight232.67 g/mol
Exact Mass232.05
IUPAC Name5-chloro-2-ethenyl-4-(2-methylpyrimidin-5-yl)pyrimidine
SMILESC=Cc1ncc(Cl)c(-c2cnc(C)nc2)n1
InChIInChI=1S/C11H9ClN4/c1-3-10-15-6-9(12)11(16-10)8-4-13-7(2)14-5-8/h3-6H,1H2,2H3
InChIKeyCNYNCFILTIQWSB-UHFFFAOYSA-N
XLogP2.54
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.67
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-chloro-2-ethenyl-4-(2-methylpyrimidin-5-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 5-chloro-2-ethenyl-4-(2-methylpyrimidin-5-yl)pyrimidine?
The IUPAC name of 5-chloro-2-ethenyl-4-(2-methylpyrimidin-5-yl)pyrimidine (CID 156842677) is 5-chloro-2-ethenyl-4-(2-methylpyrimidin-5-yl)pyrimidine.
What is the SMILES notation for 5-chloro-2-ethenyl-4-(2-methylpyrimidin-5-yl)pyrimidine?
The canonical SMILES for 5-chloro-2-ethenyl-4-(2-methylpyrimidin-5-yl)pyrimidine is C=Cc1ncc(Cl)c(-c2cnc(C)nc2)n1.
What is the InChIKey of 5-chloro-2-ethenyl-4-(2-methylpyrimidin-5-yl)pyrimidine?
The InChIKey is CNYNCFILTIQWSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN4/c1-3-10-15-6-9(12)11(16-10)8-4-13-7(2)14-5-8/h3-6H,1H2,2H3.
What are the key properties of 5-chloro-2-ethenyl-4-(2-methylpyrimidin-5-yl)pyrimidine?
5-chloro-2-ethenyl-4-(2-methylpyrimidin-5-yl)pyrimidine has a molecular weight of 232.67 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-ethenyl-4-(2-methylpyrimidin-5-yl)pyrimidine is sourced from PubChem (CID 156842677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).