4-ethyl-5-fluoro-6-(2-methylsulfonylethylsulfanyl)pyrimidine

C9H13FN2O2S2 — CID 84593440

IUPAC4-ethyl-5-fluoro-6-(2-methylsulfonylethylsulfanyl)pyrimidine
SMILESCCc1ncnc(SCCS(C)(=O)=O)c1F
InChIInChI=1S/C9H13FN2O2S2/c1-3-7-8(10)9(12-6-11-7)15-4-5-16(2,13)14/h6H,3-5H2,1-2H3
InChIKeyLGXFZMHLIGZSOU-UHFFFAOYSA-N
MW264.35 g/mol
LogP1.31
Rot. Bonds5

About 4-ethyl-5-fluoro-6-(2-methylsulfonylethylsulfanyl)pyrimidine

4-ethyl-5-fluoro-6-(2-methylsulfonylethylsulfanyl)pyrimidine (PubChem CID 84593440) has the molecular formula C9H13FN2O2S2 and a molecular weight of 264.35 g/mol. Its IUPAC name is 4-ethyl-5-fluoro-6-(2-methylsulfonylethylsulfanyl)pyrimidine.

Molecular Properties

Compound Name4-ethyl-5-fluoro-6-(2-methylsulfonylethylsulfanyl)pyrimidine
PubChem CID84593440
Molecular FormulaC9H13FN2O2S2
Molecular Weight264.35 g/mol
Exact Mass264.04
IUPAC Name4-ethyl-5-fluoro-6-(2-methylsulfonylethylsulfanyl)pyrimidine
SMILESCCc1ncnc(SCCS(C)(=O)=O)c1F
InChIInChI=1S/C9H13FN2O2S2/c1-3-7-8(10)9(12-6-11-7)15-4-5-16(2,13)14/h6H,3-5H2,1-2H3
InChIKeyLGXFZMHLIGZSOU-UHFFFAOYSA-N
XLogP1.31
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-fluoro-6-(2-methylsulfonylethylsulfanyl)pyrimidine?
The IUPAC name of 4-ethyl-5-fluoro-6-(2-methylsulfonylethylsulfanyl)pyrimidine (CID 84593440) is 4-ethyl-5-fluoro-6-(2-methylsulfonylethylsulfanyl)pyrimidine.
What is the SMILES notation for 4-ethyl-5-fluoro-6-(2-methylsulfonylethylsulfanyl)pyrimidine?
The canonical SMILES for 4-ethyl-5-fluoro-6-(2-methylsulfonylethylsulfanyl)pyrimidine is CCc1ncnc(SCCS(C)(=O)=O)c1F.
What is the InChIKey of 4-ethyl-5-fluoro-6-(2-methylsulfonylethylsulfanyl)pyrimidine?
The InChIKey is LGXFZMHLIGZSOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN2O2S2/c1-3-7-8(10)9(12-6-11-7)15-4-5-16(2,13)14/h6H,3-5H2,1-2H3.
What are the key properties of 4-ethyl-5-fluoro-6-(2-methylsulfonylethylsulfanyl)pyrimidine?
4-ethyl-5-fluoro-6-(2-methylsulfonylethylsulfanyl)pyrimidine has a molecular weight of 264.35 g/mol, XLogP of 1.31, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-fluoro-6-(2-methylsulfonylethylsulfanyl)pyrimidine is sourced from PubChem (CID 84593440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).