5-fluoro-2-(2-methylsulfonylethyl)pyrimidine

C7H9FN2O2S — CID 134558805

IUPAC5-fluoro-2-(2-methylsulfonylethyl)pyrimidine
SMILESCS(=O)(=O)CCc1ncc(F)cn1
InChIInChI=1S/C7H9FN2O2S/c1-13(11,12)3-2-7-9-4-6(8)5-10-7/h4-5H,2-3H2,1H3
InChIKeyGPHUXEYNGNNQAB-UHFFFAOYSA-N
MW204.23 g/mol
LogP0.20
Rot. Bonds3

About 5-fluoro-2-(2-methylsulfonylethyl)pyrimidine

5-fluoro-2-(2-methylsulfonylethyl)pyrimidine (PubChem CID 134558805) has the molecular formula C7H9FN2O2S and a molecular weight of 204.23 g/mol. Its IUPAC name is 5-fluoro-2-(2-methylsulfonylethyl)pyrimidine.

Molecular Properties

Compound Name5-fluoro-2-(2-methylsulfonylethyl)pyrimidine
PubChem CID134558805
Molecular FormulaC7H9FN2O2S
Molecular Weight204.23 g/mol
Exact Mass204.04
IUPAC Name5-fluoro-2-(2-methylsulfonylethyl)pyrimidine
SMILESCS(=O)(=O)CCc1ncc(F)cn1
InChIInChI=1S/C7H9FN2O2S/c1-13(11,12)3-2-7-9-4-6(8)5-10-7/h4-5H,2-3H2,1H3
InChIKeyGPHUXEYNGNNQAB-UHFFFAOYSA-N
XLogP0.20
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 50.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(2-methylsulfonylethyl)pyrimidine?
The IUPAC name of 5-fluoro-2-(2-methylsulfonylethyl)pyrimidine (CID 134558805) is 5-fluoro-2-(2-methylsulfonylethyl)pyrimidine.
What is the SMILES notation for 5-fluoro-2-(2-methylsulfonylethyl)pyrimidine?
The canonical SMILES for 5-fluoro-2-(2-methylsulfonylethyl)pyrimidine is CS(=O)(=O)CCc1ncc(F)cn1.
What is the InChIKey of 5-fluoro-2-(2-methylsulfonylethyl)pyrimidine?
The InChIKey is GPHUXEYNGNNQAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9FN2O2S/c1-13(11,12)3-2-7-9-4-6(8)5-10-7/h4-5H,2-3H2,1H3.
What are the key properties of 5-fluoro-2-(2-methylsulfonylethyl)pyrimidine?
5-fluoro-2-(2-methylsulfonylethyl)pyrimidine has a molecular weight of 204.23 g/mol, XLogP of 0.20, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(2-methylsulfonylethyl)pyrimidine is sourced from PubChem (CID 134558805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).