4-chloro-6-(2-fluorophenyl)-2-methylsulfanylpyrimidine

C11H8ClFN2S — CID 134110596

IUPAC4-chloro-6-(2-fluorophenyl)-2-methylsulfanylpyrimidine
SMILESCSc1nc(Cl)cc(-c2ccccc2F)n1
InChIInChI=1S/C11H8ClFN2S/c1-16-11-14-9(6-10(12)15-11)7-4-2-3-5-8(7)13/h2-6H,1H3
InChIKeyBUKRQDOOMIPHTA-UHFFFAOYSA-N
MW254.72 g/mol
LogP3.66
Rot. Bonds2

About 4-chloro-6-(2-fluorophenyl)-2-methylsulfanylpyrimidine

4-chloro-6-(2-fluorophenyl)-2-methylsulfanylpyrimidine (PubChem CID 134110596) has the molecular formula C11H8ClFN2S and a molecular weight of 254.72 g/mol. Its IUPAC name is 4-chloro-6-(2-fluorophenyl)-2-methylsulfanylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-(2-fluorophenyl)-2-methylsulfanylpyrimidine
PubChem CID134110596
Molecular FormulaC11H8ClFN2S
Molecular Weight254.72 g/mol
Exact Mass254.01
IUPAC Name4-chloro-6-(2-fluorophenyl)-2-methylsulfanylpyrimidine
SMILESCSc1nc(Cl)cc(-c2ccccc2F)n1
InChIInChI=1S/C11H8ClFN2S/c1-16-11-14-9(6-10(12)15-11)7-4-2-3-5-8(7)13/h2-6H,1H3
InChIKeyBUKRQDOOMIPHTA-UHFFFAOYSA-N
XLogP3.66
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-chloro-6-(2-fluorophenyl)-2-methylsulfanylpyrimidine 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-(2-fluorophenyl)-2-(6-methyl-2-pyridinyl)pyrimidine
CID 14623118
4-chloro-2-[2-(fluoromethyl)phenyl]-6-(2-fluorophenyl)pyrimidine
CID 88943269
2-(4-chlorophenyl)-6-(2-fluorophenyl)-4-methylsulfanylpyridine
CID 14551214
4-chloro-6-(2,3-difluorophenyl)-2-methylpyrimidine
CID 22599696
4-chloro-2-methylsulfanyl-6-[3-(trifluoromethyl)phenyl]pyrimidine
CID 86612500
6-chloro-N-[(2-fluorophenyl)methyl]-2-methylsulfanylpyrimidin-4-amine
CID 112724528
N-benzyl-6-chloro-2-methylsulfanylpyrimidin-4-amine
CID 4190856
2-[2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-yl]phenol
CID 175801513
2-tert-butyl-4-chloro-6-(3-fluoro-2-methylphenyl)pyrimidine
CID 115502930
5-chloro-3-(2-fluorophenyl)-1-methylpyrazole
CID 84678019
4-chloro-6-(2,4-difluorophenyl)-2-phenylpyrimidine
CID 115915006
6-chloro-N-(2-chlorophenyl)-2-methylsulfanylpyrimidin-4-amine
CID 80545283

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(2-fluorophenyl)-2-methylsulfanylpyrimidine?
The IUPAC name of 4-chloro-6-(2-fluorophenyl)-2-methylsulfanylpyrimidine (CID 134110596) is 4-chloro-6-(2-fluorophenyl)-2-methylsulfanylpyrimidine.
What is the SMILES notation for 4-chloro-6-(2-fluorophenyl)-2-methylsulfanylpyrimidine?
The canonical SMILES for 4-chloro-6-(2-fluorophenyl)-2-methylsulfanylpyrimidine is CSc1nc(Cl)cc(-c2ccccc2F)n1.
What is the InChIKey of 4-chloro-6-(2-fluorophenyl)-2-methylsulfanylpyrimidine?
The InChIKey is BUKRQDOOMIPHTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClFN2S/c1-16-11-14-9(6-10(12)15-11)7-4-2-3-5-8(7)13/h2-6H,1H3.
What are the key properties of 4-chloro-6-(2-fluorophenyl)-2-methylsulfanylpyrimidine?
4-chloro-6-(2-fluorophenyl)-2-methylsulfanylpyrimidine has a molecular weight of 254.72 g/mol, XLogP of 3.66, 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-fluorophenyl)-2-methylsulfanylpyrimidine is sourced from PubChem (CID 134110596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).