2-chloro-5-fluoro-4-pyrazin-2-ylsulfanylpyrimidine

C8H4ClFN4S — CID 79076732

IUPAC2-chloro-5-fluoro-4-pyrazin-2-ylsulfanylpyrimidine
SMILESFc1cnc(Cl)nc1Sc1cnccn1
InChIInChI=1S/C8H4ClFN4S/c9-8-13-3-5(10)7(14-8)15-6-4-11-1-2-12-6/h1-4H
InChIKeyCBGWOLTUUUJBAW-UHFFFAOYSA-N
MW242.67 g/mol
LogP2.21
Rot. Bonds2

About 2-chloro-5-fluoro-4-pyrazin-2-ylsulfanylpyrimidine

2-chloro-5-fluoro-4-pyrazin-2-ylsulfanylpyrimidine (PubChem CID 79076732) has the molecular formula C8H4ClFN4S and a molecular weight of 242.67 g/mol. Its IUPAC name is 2-chloro-5-fluoro-4-pyrazin-2-ylsulfanylpyrimidine.

Molecular Properties

Compound Name2-chloro-5-fluoro-4-pyrazin-2-ylsulfanylpyrimidine
PubChem CID79076732
Molecular FormulaC8H4ClFN4S
Molecular Weight242.67 g/mol
Exact Mass241.98
IUPAC Name2-chloro-5-fluoro-4-pyrazin-2-ylsulfanylpyrimidine
SMILESFc1cnc(Cl)nc1Sc1cnccn1
InChIInChI=1S/C8H4ClFN4S/c9-8-13-3-5(10)7(14-8)15-6-4-11-1-2-12-6/h1-4H
InChIKeyCBGWOLTUUUJBAW-UHFFFAOYSA-N
XLogP2.21
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.67
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-chloro-5-fluoro-4-pyrazin-2-ylsulfanylpyrimidine 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

2-(Pyrazin-2-ylsulfanyl)pyrimidine-4,6-diamine
CID 132278902
2-(2-Chloro-5-fluoropyrimidin-4-yl)sulfanylpyrimidine-4,6-diamine
CID 79075268
2-Chloro-5-fluoro-4-pyrimidin-4-ylsulfanylpyrimidine
CID 79075269
2-Chloro-5-fluoro-4-(1-methylimidazol-2-yl)sulfanylpyrimidine
CID 79075592
2-Chloro-5-fluoro-4-pyrimidin-2-ylsulfanylpyrimidine
CID 79076829
5-Fluoro-4-pyrimidin-2-ylsulfanylpyrimidin-2-amine
CID 80886986
5-Fluoro-4-pyrazin-2-ylsulfanylpyrimidin-2-amine
CID 80888845
5-fluoro-N-methyl-4-pyrimidin-4-ylsulfanylpyrimidin-2-amine
CID 80889029
5-fluoro-N-propyl-4-pyrazin-2-ylsulfanylpyrimidin-2-amine
CID 80889363
5-Fluoro-4-pyrimidin-4-ylsulfanylpyrimidin-2-amine
CID 80889458
5-fluoro-N-methyl-4-pyrazin-2-ylsulfanylpyrimidin-2-amine
CID 80889783
N-ethyl-5-fluoro-4-pyrazin-2-ylsulfanylpyrimidin-2-amine
CID 80889784

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-4-pyrazin-2-ylsulfanylpyrimidine?
The IUPAC name of 2-chloro-5-fluoro-4-pyrazin-2-ylsulfanylpyrimidine (CID 79076732) is 2-chloro-5-fluoro-4-pyrazin-2-ylsulfanylpyrimidine.
What is the SMILES notation for 2-chloro-5-fluoro-4-pyrazin-2-ylsulfanylpyrimidine?
The canonical SMILES for 2-chloro-5-fluoro-4-pyrazin-2-ylsulfanylpyrimidine is Fc1cnc(Cl)nc1Sc1cnccn1.
What is the InChIKey of 2-chloro-5-fluoro-4-pyrazin-2-ylsulfanylpyrimidine?
The InChIKey is CBGWOLTUUUJBAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClFN4S/c9-8-13-3-5(10)7(14-8)15-6-4-11-1-2-12-6/h1-4H.
What are the key properties of 2-chloro-5-fluoro-4-pyrazin-2-ylsulfanylpyrimidine?
2-chloro-5-fluoro-4-pyrazin-2-ylsulfanylpyrimidine has a molecular weight of 242.67 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-4-pyrazin-2-ylsulfanylpyrimidine is sourced from PubChem (CID 79076732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).