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

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Related Compounds

4-chloro-6-(2-fluoro-3-methoxyphenyl)-2-methylpyrimidine
CID 82812450
4-(2-fluoro-3-methoxyphenyl)-2,5-dimethyl-1H-pyrimidin-6-one
CID 136769843
2-(2-fluoro-3-methoxyphenyl)phenol
CID 53218569
4-(2-fluoro-3-methoxyphenyl)-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one
CID 136769851
4-chloro-6-(2,6-dimethoxyphenoxy)-2,5-dimethylpyrimidine
CID 63736403
6-(2-fluoro-3-methoxyphenyl)-2-methylpyrimidin-4-amine
CID 82811355
4-chloro-6-(2-fluoro-3-methoxyphenyl)-5-propan-2-ylpyrimidine
CID 82810915
6-(2-fluoro-3-methoxyphenyl)-2,5-dimethyl-1H-pyrimidine-4-thione
CID 106520559
2,3-difluoro-1,4-bis(2-methoxyphenyl)benzene
CID 58004087
1,2,3-trichloro-5-(2-fluoro-3-methoxyphenyl)benzene
CID 134620248
4-chloro-2-cyclopropyl-6-(2,3-difluorophenyl)-5-methylpyrimidine
CID 80974850
4-(5-bromo-2-fluorophenyl)-6-chloro-2,5-dimethylpyrimidine
CID 79742433

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).