2-fluoro-4-(3-methylcyclohexyl)sulfanylpyrimidine

C11H15FN2S — CID 164645401

IUPAC2-fluoro-4-(3-methylcyclohexyl)sulfanylpyrimidine
SMILESCC1CCCC(Sc2ccnc(F)n2)C1
InChIInChI=1S/C11H15FN2S/c1-8-3-2-4-9(7-8)15-10-5-6-13-11(12)14-10/h5-6,8-9H,2-4,7H2,1H3
InChIKeyJSIUMCNRBQQLLO-UHFFFAOYSA-N
MW226.32 g/mol
LogP3.29
Rot. Bonds2

About 2-fluoro-4-(3-methylcyclohexyl)sulfanylpyrimidine

2-fluoro-4-(3-methylcyclohexyl)sulfanylpyrimidine (PubChem CID 164645401) has the molecular formula C11H15FN2S and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-fluoro-4-(3-methylcyclohexyl)sulfanylpyrimidine.

Molecular Properties

Compound Name2-fluoro-4-(3-methylcyclohexyl)sulfanylpyrimidine
PubChem CID164645401
Molecular FormulaC11H15FN2S
Molecular Weight226.32 g/mol
Exact Mass226.09
IUPAC Name2-fluoro-4-(3-methylcyclohexyl)sulfanylpyrimidine
SMILESCC1CCCC(Sc2ccnc(F)n2)C1
InChIInChI=1S/C11H15FN2S/c1-8-3-2-4-9(7-8)15-10-5-6-13-11(12)14-10/h5-6,8-9H,2-4,7H2,1H3
InChIKeyJSIUMCNRBQQLLO-UHFFFAOYSA-N
XLogP3.29
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-fluoro-4-(3-methylcyclohexyl)sulfanylpyrimidine 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 2-fluoro-4-(3-methylcyclohexyl)sulfanylpyrimidine?
The IUPAC name of 2-fluoro-4-(3-methylcyclohexyl)sulfanylpyrimidine (CID 164645401) is 2-fluoro-4-(3-methylcyclohexyl)sulfanylpyrimidine.
What is the SMILES notation for 2-fluoro-4-(3-methylcyclohexyl)sulfanylpyrimidine?
The canonical SMILES for 2-fluoro-4-(3-methylcyclohexyl)sulfanylpyrimidine is CC1CCCC(Sc2ccnc(F)n2)C1.
What is the InChIKey of 2-fluoro-4-(3-methylcyclohexyl)sulfanylpyrimidine?
The InChIKey is JSIUMCNRBQQLLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2S/c1-8-3-2-4-9(7-8)15-10-5-6-13-11(12)14-10/h5-6,8-9H,2-4,7H2,1H3.
What are the key properties of 2-fluoro-4-(3-methylcyclohexyl)sulfanylpyrimidine?
2-fluoro-4-(3-methylcyclohexyl)sulfanylpyrimidine has a molecular weight of 226.32 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(3-methylcyclohexyl)sulfanylpyrimidine is sourced from PubChem (CID 164645401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).