4-chloro-6-(2-fluoro-3-methoxyphenyl)-2,5-dimethylpyrimidine

C13H12ClFN2O — CID 82811061

IUPAC4-chloro-6-(2-fluoro-3-methoxyphenyl)-2,5-dimethylpyrimidine
SMILESCOc1cccc(-c2nc(C)nc(Cl)c2C)c1F
InChIInChI=1S/C13H12ClFN2O/c1-7-12(16-8(2)17-13(7)14)9-5-4-6-10(18-3)11(9)15/h4-6H,1-3H3
InChIKeyVFLVUVLWEMOEQJ-UHFFFAOYSA-N
MW266.70 g/mol
LogP3.56
Rot. Bonds2

About 4-chloro-6-(2-fluoro-3-methoxyphenyl)-2,5-dimethylpyrimidine

4-chloro-6-(2-fluoro-3-methoxyphenyl)-2,5-dimethylpyrimidine (PubChem CID 82811061) has the molecular formula C13H12ClFN2O and a molecular weight of 266.70 g/mol. Its IUPAC name is 4-chloro-6-(2-fluoro-3-methoxyphenyl)-2,5-dimethylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-(2-fluoro-3-methoxyphenyl)-2,5-dimethylpyrimidine
PubChem CID82811061
Molecular FormulaC13H12ClFN2O
Molecular Weight266.70 g/mol
Exact Mass266.06
IUPAC Name4-chloro-6-(2-fluoro-3-methoxyphenyl)-2,5-dimethylpyrimidine
SMILESCOc1cccc(-c2nc(C)nc(Cl)c2C)c1F
InChIInChI=1S/C13H12ClFN2O/c1-7-12(16-8(2)17-13(7)14)9-5-4-6-10(18-3)11(9)15/h4-6H,1-3H3
InChIKeyVFLVUVLWEMOEQJ-UHFFFAOYSA-N
XLogP3.56
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.70
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-chloro-6-(2-fluoro-3-methoxyphenyl)-2,5-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-6-(2-fluoro-3-methoxyphenyl)-2,5-dimethylpyrimidine?
The IUPAC name of 4-chloro-6-(2-fluoro-3-methoxyphenyl)-2,5-dimethylpyrimidine (CID 82811061) is 4-chloro-6-(2-fluoro-3-methoxyphenyl)-2,5-dimethylpyrimidine.
What is the SMILES notation for 4-chloro-6-(2-fluoro-3-methoxyphenyl)-2,5-dimethylpyrimidine?
The canonical SMILES for 4-chloro-6-(2-fluoro-3-methoxyphenyl)-2,5-dimethylpyrimidine is COc1cccc(-c2nc(C)nc(Cl)c2C)c1F.
What is the InChIKey of 4-chloro-6-(2-fluoro-3-methoxyphenyl)-2,5-dimethylpyrimidine?
The InChIKey is VFLVUVLWEMOEQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN2O/c1-7-12(16-8(2)17-13(7)14)9-5-4-6-10(18-3)11(9)15/h4-6H,1-3H3.
What are the key properties of 4-chloro-6-(2-fluoro-3-methoxyphenyl)-2,5-dimethylpyrimidine?
4-chloro-6-(2-fluoro-3-methoxyphenyl)-2,5-dimethylpyrimidine has a molecular weight of 266.70 g/mol, XLogP of 3.56, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(2-fluoro-3-methoxyphenyl)-2,5-dimethylpyrimidine is sourced from PubChem (CID 82811061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).