4-cyclohexylsulfanyl-2-fluoro-6-methylpyrimidine

C11H15FN2S — CID 164645833

IUPAC4-cyclohexylsulfanyl-2-fluoro-6-methylpyrimidine
SMILESCc1cc(SC2CCCCC2)nc(F)n1
InChIInChI=1S/C11H15FN2S/c1-8-7-10(14-11(12)13-8)15-9-5-3-2-4-6-9/h7,9H,2-6H2,1H3
InChIKeyNCMVQVIMVBNIJY-UHFFFAOYSA-N
MW226.32 g/mol
LogP3.35
Rot. Bonds2

About 4-cyclohexylsulfanyl-2-fluoro-6-methylpyrimidine

4-cyclohexylsulfanyl-2-fluoro-6-methylpyrimidine (PubChem CID 164645833) has the molecular formula C11H15FN2S and a molecular weight of 226.32 g/mol. Its IUPAC name is 4-cyclohexylsulfanyl-2-fluoro-6-methylpyrimidine.

Molecular Properties

Compound Name4-cyclohexylsulfanyl-2-fluoro-6-methylpyrimidine
PubChem CID164645833
Molecular FormulaC11H15FN2S
Molecular Weight226.32 g/mol
Exact Mass226.09
IUPAC Name4-cyclohexylsulfanyl-2-fluoro-6-methylpyrimidine
SMILESCc1cc(SC2CCCCC2)nc(F)n1
InChIInChI=1S/C11H15FN2S/c1-8-7-10(14-11(12)13-8)15-9-5-3-2-4-6-9/h7,9H,2-6H2,1H3
InChIKeyNCMVQVIMVBNIJY-UHFFFAOYSA-N
XLogP3.35
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 ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexylsulfanyl-2-fluoro-6-methylpyrimidine?
The IUPAC name of 4-cyclohexylsulfanyl-2-fluoro-6-methylpyrimidine (CID 164645833) is 4-cyclohexylsulfanyl-2-fluoro-6-methylpyrimidine.
What is the SMILES notation for 4-cyclohexylsulfanyl-2-fluoro-6-methylpyrimidine?
The canonical SMILES for 4-cyclohexylsulfanyl-2-fluoro-6-methylpyrimidine is Cc1cc(SC2CCCCC2)nc(F)n1.
What is the InChIKey of 4-cyclohexylsulfanyl-2-fluoro-6-methylpyrimidine?
The InChIKey is NCMVQVIMVBNIJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2S/c1-8-7-10(14-11(12)13-8)15-9-5-3-2-4-6-9/h7,9H,2-6H2,1H3.
What are the key properties of 4-cyclohexylsulfanyl-2-fluoro-6-methylpyrimidine?
4-cyclohexylsulfanyl-2-fluoro-6-methylpyrimidine has a molecular weight of 226.32 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexylsulfanyl-2-fluoro-6-methylpyrimidine is sourced from PubChem (CID 164645833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).