2-chloro-4-fluoro-6-methylsulfanylpyrimidine

C5H4ClFN2S — CID 139215042

IUPAC2-chloro-4-fluoro-6-methylsulfanylpyrimidine
SMILESCSc1cc(F)nc(Cl)n1
InChIInChI=1S/C5H4ClFN2S/c1-10-4-2-3(7)8-5(6)9-4/h2H,1H3
InChIKeyKYHHZEHCZKYKNJ-UHFFFAOYSA-N
MW178.62 g/mol
LogP1.99
Rot. Bonds1

About 2-chloro-4-fluoro-6-methylsulfanylpyrimidine

2-chloro-4-fluoro-6-methylsulfanylpyrimidine (PubChem CID 139215042) has the molecular formula C5H4ClFN2S and a molecular weight of 178.62 g/mol. Its IUPAC name is 2-chloro-4-fluoro-6-methylsulfanylpyrimidine.

Molecular Properties

Compound Name2-chloro-4-fluoro-6-methylsulfanylpyrimidine
PubChem CID139215042
Molecular FormulaC5H4ClFN2S
Molecular Weight178.62 g/mol
Exact Mass177.98
IUPAC Name2-chloro-4-fluoro-6-methylsulfanylpyrimidine
SMILESCSc1cc(F)nc(Cl)n1
InChIInChI=1S/C5H4ClFN2S/c1-10-4-2-3(7)8-5(6)9-4/h2H,1H3
InChIKeyKYHHZEHCZKYKNJ-UHFFFAOYSA-N
XLogP1.99
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.62
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-chloro-4-fluoro-6-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

6-Methylthio-pyrimidine-2,4-diamine
CID 235893
4,6-Bis(methylthio)pyrimidine
CID 238759
2-Chloro-4-(methylthio)pyrimidine
CID 16427148
2,4-Dichloro-6-(methylsulfanyl)pyrimidine
CID 19693883
4-Chloro-6-methylsulfanylpyrimidin-2-amine
CID 237626
2,4,6-Tris-isobutylsulfanyl-pyrimidine
CID 25130894
4,6-Difluoro-2-(methylsulfanyl)pyrimidine
CID 14461144
4-Chloro-6-(methylsulfanyl)pyrimidine
CID 21813077
4-Chloro-2,6-bis(methylsulfanyl)pyrimidine
CID 25105360
4-Chloro-2-methyl-6-(methylthio)pyrimidine
CID 56924430
4-Chloro-6-fluoro-2-(methylsulfanyl)pyrimidine
CID 134202157
4-Chloro-6-ethylsulfanylpyrimidin-2-amine
CID 237627

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-6-methylsulfanylpyrimidine?
The IUPAC name of 2-chloro-4-fluoro-6-methylsulfanylpyrimidine (CID 139215042) is 2-chloro-4-fluoro-6-methylsulfanylpyrimidine.
What is the SMILES notation for 2-chloro-4-fluoro-6-methylsulfanylpyrimidine?
The canonical SMILES for 2-chloro-4-fluoro-6-methylsulfanylpyrimidine is CSc1cc(F)nc(Cl)n1.
What is the InChIKey of 2-chloro-4-fluoro-6-methylsulfanylpyrimidine?
The InChIKey is KYHHZEHCZKYKNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4ClFN2S/c1-10-4-2-3(7)8-5(6)9-4/h2H,1H3.
What are the key properties of 2-chloro-4-fluoro-6-methylsulfanylpyrimidine?
2-chloro-4-fluoro-6-methylsulfanylpyrimidine has a molecular weight of 178.62 g/mol, XLogP of 1.99, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-6-methylsulfanylpyrimidine is sourced from PubChem (CID 139215042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).