4-chloro-5-ethyl-6-(3-fluoro-2-methylphenyl)pyrimidine

C13H12ClFN2 — CID 115502928

IUPAC4-chloro-5-ethyl-6-(3-fluoro-2-methylphenyl)pyrimidine
SMILESCCc1c(Cl)ncnc1-c1cccc(F)c1C
InChIInChI=1S/C13H12ClFN2/c1-3-9-12(16-7-17-13(9)14)10-5-4-6-11(15)8(10)2/h4-7H,3H2,1-2H3
InChIKeyMCZPKWSHXDZMPI-UHFFFAOYSA-N
MW250.70 g/mol
LogP3.81
Rot. Bonds2

About 4-chloro-5-ethyl-6-(3-fluoro-2-methylphenyl)pyrimidine

4-chloro-5-ethyl-6-(3-fluoro-2-methylphenyl)pyrimidine (PubChem CID 115502928) has the molecular formula C13H12ClFN2 and a molecular weight of 250.70 g/mol. Its IUPAC name is 4-chloro-5-ethyl-6-(3-fluoro-2-methylphenyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-5-ethyl-6-(3-fluoro-2-methylphenyl)pyrimidine
PubChem CID115502928
Molecular FormulaC13H12ClFN2
Molecular Weight250.70 g/mol
Exact Mass250.07
IUPAC Name4-chloro-5-ethyl-6-(3-fluoro-2-methylphenyl)pyrimidine
SMILESCCc1c(Cl)ncnc1-c1cccc(F)c1C
InChIInChI=1S/C13H12ClFN2/c1-3-9-12(16-7-17-13(9)14)10-5-4-6-11(15)8(10)2/h4-7H,3H2,1-2H3
InChIKeyMCZPKWSHXDZMPI-UHFFFAOYSA-N
XLogP3.81
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.70
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-chloro-5-ethyl-6-(3-fluoro-2-methylphenyl)pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-6-(3-fluoro-2-methylphenyl)-5-methylpyrimidine
CID 115502906
N-ethyl-6-(3-fluoro-2-methylphenyl)-5-methylpyrimidin-4-amine
CID 115503017
4-chloro-5-ethyl-6-(2-fluoro-4-methoxyphenyl)pyrimidine
CID 115505187
4-(3-bromo-2,6-difluorophenyl)-6-chloro-5-ethylpyrimidine
CID 106943648
4-chloro-6-(3-fluoro-2-methylphenyl)-5-methyl-2-propylpyrimidine
CID 115502941
4-chloro-6-(3-fluoro-2-methylphenyl)pyrimidine
CID 115502919
6-chloro-5-ethyl-N-[2-(2-fluorophenyl)ethyl]pyrimidin-4-amine
CID 63728917
4-chloro-5-ethyl-6-(2-fluorophenyl)sulfanylpyrimidine
CID 63732482
4-chloro-5-propyl-6-(2,4,5-trifluorophenyl)pyrimidine
CID 113324556
6-(3-fluoro-2-methylphenyl)-5-methoxy-N-methylpyrimidin-4-amine
CID 115502976
4-chloro-6-(2-chloro-4-fluorophenyl)-5-propylpyrimidine
CID 113324911
4-chloro-6-(7-fluoro-1-benzofuran-2-yl)-5-propylpyrimidine
CID 114734319

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-ethyl-6-(3-fluoro-2-methylphenyl)pyrimidine?
The IUPAC name of 4-chloro-5-ethyl-6-(3-fluoro-2-methylphenyl)pyrimidine (CID 115502928) is 4-chloro-5-ethyl-6-(3-fluoro-2-methylphenyl)pyrimidine.
What is the SMILES notation for 4-chloro-5-ethyl-6-(3-fluoro-2-methylphenyl)pyrimidine?
The canonical SMILES for 4-chloro-5-ethyl-6-(3-fluoro-2-methylphenyl)pyrimidine is CCc1c(Cl)ncnc1-c1cccc(F)c1C.
What is the InChIKey of 4-chloro-5-ethyl-6-(3-fluoro-2-methylphenyl)pyrimidine?
The InChIKey is MCZPKWSHXDZMPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN2/c1-3-9-12(16-7-17-13(9)14)10-5-4-6-11(15)8(10)2/h4-7H,3H2,1-2H3.
What are the key properties of 4-chloro-5-ethyl-6-(3-fluoro-2-methylphenyl)pyrimidine?
4-chloro-5-ethyl-6-(3-fluoro-2-methylphenyl)pyrimidine has a molecular weight of 250.70 g/mol, XLogP of 3.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-ethyl-6-(3-fluoro-2-methylphenyl)pyrimidine is sourced from PubChem (CID 115502928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).