4-chloro-2-ethylpyrimidine

C6H7ClN2 — CID 43654669

IUPAC4-chloro-2-ethylpyrimidine
SMILESCCc1nccc(Cl)n1
InChIInChI=1S/C6H7ClN2/c1-2-6-8-4-3-5(7)9-6/h3-4H,2H2,1H3
InChIKeyZPSYDWVKMBOSCI-UHFFFAOYSA-N
MW142.59 g/mol
LogP1.69
Rot. Bonds1

About 4-chloro-2-ethylpyrimidine

4-chloro-2-ethylpyrimidine (PubChem CID 43654669) has the molecular formula C6H7ClN2 and a molecular weight of 142.59 g/mol. Its IUPAC name is 4-chloro-2-ethylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-ethylpyrimidine
PubChem CID43654669
Molecular FormulaC6H7ClN2
Molecular Weight142.59 g/mol
Exact Mass142.03
IUPAC Name4-chloro-2-ethylpyrimidine
SMILESCCc1nccc(Cl)n1
InChIInChI=1S/C6H7ClN2/c1-2-6-8-4-3-5(7)9-6/h3-4H,2H2,1H3
InChIKeyZPSYDWVKMBOSCI-UHFFFAOYSA-N
XLogP1.69
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.59
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-chloro-2-ethylpyrimidine 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-ethylpyrimidine?
The IUPAC name of 4-chloro-2-ethylpyrimidine (CID 43654669) is 4-chloro-2-ethylpyrimidine.
What is the SMILES notation for 4-chloro-2-ethylpyrimidine?
The canonical SMILES for 4-chloro-2-ethylpyrimidine is CCc1nccc(Cl)n1.
What is the InChIKey of 4-chloro-2-ethylpyrimidine?
The InChIKey is ZPSYDWVKMBOSCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClN2/c1-2-6-8-4-3-5(7)9-6/h3-4H,2H2,1H3.
What are the key properties of 4-chloro-2-ethylpyrimidine?
4-chloro-2-ethylpyrimidine has a molecular weight of 142.59 g/mol, XLogP of 1.69, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-ethylpyrimidine is sourced from PubChem (CID 43654669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).