4-chloro-5-fluoro-2-methylpyrimidine

C5H4ClFN2 — CID 574155

IUPAC4-chloro-5-fluoro-2-methylpyrimidine
SMILESCc1ncc(F)c(Cl)n1
InChIInChI=1S/C5H4ClFN2/c1-3-8-2-4(7)5(6)9-3/h2H,1H3
InChIKeyQSFGQHQXDKLATK-UHFFFAOYSA-N
MW146.55 g/mol
LogP1.58
Rot. Bonds

About 4-chloro-5-fluoro-2-methylpyrimidine

4-chloro-5-fluoro-2-methylpyrimidine (PubChem CID 574155) has the molecular formula C5H4ClFN2 and a molecular weight of 146.55 g/mol. Its IUPAC name is 4-chloro-5-fluoro-2-methylpyrimidine.

Molecular Properties

Compound Name4-chloro-5-fluoro-2-methylpyrimidine
PubChem CID574155
Molecular FormulaC5H4ClFN2
Molecular Weight146.55 g/mol
Exact Mass146.00
IUPAC Name4-chloro-5-fluoro-2-methylpyrimidine
SMILESCc1ncc(F)c(Cl)n1
InChIInChI=1S/C5H4ClFN2/c1-3-8-2-4(7)5(6)9-3/h2H,1H3
InChIKeyQSFGQHQXDKLATK-UHFFFAOYSA-N
XLogP1.58
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.55
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-chloro-5-fluoro-2-methylpyrimidine 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-5-fluoro-2-methylpyrimidine?
The IUPAC name of 4-chloro-5-fluoro-2-methylpyrimidine (CID 574155) is 4-chloro-5-fluoro-2-methylpyrimidine.
What is the SMILES notation for 4-chloro-5-fluoro-2-methylpyrimidine?
The canonical SMILES for 4-chloro-5-fluoro-2-methylpyrimidine is Cc1ncc(F)c(Cl)n1.
What is the InChIKey of 4-chloro-5-fluoro-2-methylpyrimidine?
The InChIKey is QSFGQHQXDKLATK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4ClFN2/c1-3-8-2-4(7)5(6)9-3/h2H,1H3.
What are the key properties of 4-chloro-5-fluoro-2-methylpyrimidine?
4-chloro-5-fluoro-2-methylpyrimidine has a molecular weight of 146.55 g/mol, XLogP of 1.58, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-fluoro-2-methylpyrimidine is sourced from PubChem (CID 574155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).