2-chloro-4-ethylpyrimidine

C6H7ClN2 — CID 15783026

IUPAC2-chloro-4-ethylpyrimidine
SMILESCCc1ccnc(Cl)n1
InChIInChI=1S/C6H7ClN2/c1-2-5-3-4-8-6(7)9-5/h3-4H,2H2,1H3
InChIKeyQHIVQBQKAWDOCN-UHFFFAOYSA-N
MW142.59 g/mol
LogP1.69
Rot. Bonds1

About 2-chloro-4-ethylpyrimidine

2-chloro-4-ethylpyrimidine (PubChem CID 15783026) has the molecular formula C6H7ClN2 and a molecular weight of 142.59 g/mol. Its IUPAC name is 2-chloro-4-ethylpyrimidine.

Molecular Properties

Compound Name2-chloro-4-ethylpyrimidine
PubChem CID15783026
Molecular FormulaC6H7ClN2
Molecular Weight142.59 g/mol
Exact Mass142.03
IUPAC Name2-chloro-4-ethylpyrimidine
SMILESCCc1ccnc(Cl)n1
InChIInChI=1S/C6H7ClN2/c1-2-5-3-4-8-6(7)9-5/h3-4H,2H2,1H3
InChIKeyQHIVQBQKAWDOCN-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 2-chloro-4-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 2-chloro-4-ethylpyrimidine?
The IUPAC name of 2-chloro-4-ethylpyrimidine (CID 15783026) is 2-chloro-4-ethylpyrimidine.
What is the SMILES notation for 2-chloro-4-ethylpyrimidine?
The canonical SMILES for 2-chloro-4-ethylpyrimidine is CCc1ccnc(Cl)n1.
What is the InChIKey of 2-chloro-4-ethylpyrimidine?
The InChIKey is QHIVQBQKAWDOCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClN2/c1-2-5-3-4-8-6(7)9-5/h3-4H,2H2,1H3.
What are the key properties of 2-chloro-4-ethylpyrimidine?
2-chloro-4-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 2-chloro-4-ethylpyrimidine is sourced from PubChem (CID 15783026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).