4-fluoro-2-methylsulfanylpyrimidine

C5H5FN2S — CID 10261244

IUPAC4-fluoro-2-methylsulfanylpyrimidine
SMILESCSc1nccc(F)n1
InChIInChI=1S/C5H5FN2S/c1-9-5-7-3-2-4(6)8-5/h2-3H,1H3
InChIKeyPTOVZQHGXMAESP-UHFFFAOYSA-N
MW144.17 g/mol
LogP1.34
Rot. Bonds1

About 4-fluoro-2-methylsulfanylpyrimidine

4-fluoro-2-methylsulfanylpyrimidine (PubChem CID 10261244) has the molecular formula C5H5FN2S and a molecular weight of 144.17 g/mol. Its IUPAC name is 4-fluoro-2-methylsulfanylpyrimidine.

Molecular Properties

Compound Name4-fluoro-2-methylsulfanylpyrimidine
PubChem CID10261244
Molecular FormulaC5H5FN2S
Molecular Weight144.17 g/mol
Exact Mass144.02
IUPAC Name4-fluoro-2-methylsulfanylpyrimidine
SMILESCSc1nccc(F)n1
InChIInChI=1S/C5H5FN2S/c1-9-5-7-3-2-4(6)8-5/h2-3H,1H3
InChIKeyPTOVZQHGXMAESP-UHFFFAOYSA-N
XLogP1.34
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-fluoro-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

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methylsulfanylpyrimidine?
The IUPAC name of 4-fluoro-2-methylsulfanylpyrimidine (CID 10261244) is 4-fluoro-2-methylsulfanylpyrimidine.
What is the SMILES notation for 4-fluoro-2-methylsulfanylpyrimidine?
The canonical SMILES for 4-fluoro-2-methylsulfanylpyrimidine is CSc1nccc(F)n1.
What is the InChIKey of 4-fluoro-2-methylsulfanylpyrimidine?
The InChIKey is PTOVZQHGXMAESP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5FN2S/c1-9-5-7-3-2-4(6)8-5/h2-3H,1H3.
What are the key properties of 4-fluoro-2-methylsulfanylpyrimidine?
4-fluoro-2-methylsulfanylpyrimidine has a molecular weight of 144.17 g/mol, XLogP of 1.34, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methylsulfanylpyrimidine is sourced from PubChem (CID 10261244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).