4-chloro-5-fluoro-6-methylpyrimidine

C5H4ClFN2 — CID 18736672

IUPAC4-chloro-5-fluoro-6-methylpyrimidine
SMILESCc1ncnc(Cl)c1F
InChIInChI=1S/C5H4ClFN2/c1-3-4(7)5(6)9-2-8-3/h2H,1H3
InChIKeyGHMKXPYBLNJQIK-UHFFFAOYSA-N
MW146.55 g/mol
LogP1.58
Rot. Bonds

About 4-chloro-5-fluoro-6-methylpyrimidine

4-chloro-5-fluoro-6-methylpyrimidine (PubChem CID 18736672) has the molecular formula C5H4ClFN2 and a molecular weight of 146.55 g/mol. Its IUPAC name is 4-chloro-5-fluoro-6-methylpyrimidine.

Molecular Properties

Compound Name4-chloro-5-fluoro-6-methylpyrimidine
PubChem CID18736672
Molecular FormulaC5H4ClFN2
Molecular Weight146.55 g/mol
Exact Mass146.00
IUPAC Name4-chloro-5-fluoro-6-methylpyrimidine
SMILESCc1ncnc(Cl)c1F
InChIInChI=1S/C5H4ClFN2/c1-3-4(7)5(6)9-2-8-3/h2H,1H3
InChIKeyGHMKXPYBLNJQIK-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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-fluoro-6-methylpyrimidine?
The IUPAC name of 4-chloro-5-fluoro-6-methylpyrimidine (CID 18736672) is 4-chloro-5-fluoro-6-methylpyrimidine.
What is the SMILES notation for 4-chloro-5-fluoro-6-methylpyrimidine?
The canonical SMILES for 4-chloro-5-fluoro-6-methylpyrimidine is Cc1ncnc(Cl)c1F.
What is the InChIKey of 4-chloro-5-fluoro-6-methylpyrimidine?
The InChIKey is GHMKXPYBLNJQIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4ClFN2/c1-3-4(7)5(6)9-2-8-3/h2H,1H3.
What are the key properties of 4-chloro-5-fluoro-6-methylpyrimidine?
4-chloro-5-fluoro-6-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-6-methylpyrimidine is sourced from PubChem (CID 18736672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).