4-chloro-5-fluoro-2,6-dimethylpyrimidine

C6H6ClFN2 — CID 62405851

IUPAC4-chloro-5-fluoro-2,6-dimethylpyrimidine
SMILESCc1nc(C)c(F)c(Cl)n1
InChIInChI=1S/C6H6ClFN2/c1-3-5(8)6(7)10-4(2)9-3/h1-2H3
InChIKeyFHODBPHCANOZIG-UHFFFAOYSA-N
MW160.58 g/mol
LogP1.89
Rot. Bonds

About 4-chloro-5-fluoro-2,6-dimethylpyrimidine

4-chloro-5-fluoro-2,6-dimethylpyrimidine (PubChem CID 62405851) has the molecular formula C6H6ClFN2 and a molecular weight of 160.58 g/mol. Its IUPAC name is 4-chloro-5-fluoro-2,6-dimethylpyrimidine.

Molecular Properties

Compound Name4-chloro-5-fluoro-2,6-dimethylpyrimidine
PubChem CID62405851
Molecular FormulaC6H6ClFN2
Molecular Weight160.58 g/mol
Exact Mass160.02
IUPAC Name4-chloro-5-fluoro-2,6-dimethylpyrimidine
SMILESCc1nc(C)c(F)c(Cl)n1
InChIInChI=1S/C6H6ClFN2/c1-3-5(8)6(7)10-4(2)9-3/h1-2H3
InChIKeyFHODBPHCANOZIG-UHFFFAOYSA-N
XLogP1.89
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.58
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-chloro-5-fluoro-2,6-dimethylpyrimidine 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-2,6-dimethylpyrimidine?
The IUPAC name of 4-chloro-5-fluoro-2,6-dimethylpyrimidine (CID 62405851) is 4-chloro-5-fluoro-2,6-dimethylpyrimidine.
What is the SMILES notation for 4-chloro-5-fluoro-2,6-dimethylpyrimidine?
The canonical SMILES for 4-chloro-5-fluoro-2,6-dimethylpyrimidine is Cc1nc(C)c(F)c(Cl)n1.
What is the InChIKey of 4-chloro-5-fluoro-2,6-dimethylpyrimidine?
The InChIKey is FHODBPHCANOZIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClFN2/c1-3-5(8)6(7)10-4(2)9-3/h1-2H3.
What are the key properties of 4-chloro-5-fluoro-2,6-dimethylpyrimidine?
4-chloro-5-fluoro-2,6-dimethylpyrimidine has a molecular weight of 160.58 g/mol, XLogP of 1.89, 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-2,6-dimethylpyrimidine is sourced from PubChem (CID 62405851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).