5-fluoro-1-methylsulfonylpyrimidine-2,4-dione

C5H5FN2O4S — CID 582755

IUPAC5-fluoro-1-methylsulfonylpyrimidine-2,4-dione
SMILESCS(=O)(=O)n1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C5H5FN2O4S/c1-13(11,12)8-2-3(6)4(9)7-5(8)10/h2H,1H3,(H,7,9,10)
InChIKeyBLMFZILCTKKUMH-UHFFFAOYSA-N
MW208.17 g/mol
LogP-1.52
Rot. Bonds1

About 5-fluoro-1-methylsulfonylpyrimidine-2,4-dione

5-fluoro-1-methylsulfonylpyrimidine-2,4-dione (PubChem CID 582755) has the molecular formula C5H5FN2O4S and a molecular weight of 208.17 g/mol. Its IUPAC name is 5-fluoro-1-methylsulfonylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-fluoro-1-methylsulfonylpyrimidine-2,4-dione
PubChem CID582755
Molecular FormulaC5H5FN2O4S
Molecular Weight208.17 g/mol
Exact Mass208.00
IUPAC Name5-fluoro-1-methylsulfonylpyrimidine-2,4-dione
SMILESCS(=O)(=O)n1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C5H5FN2O4S/c1-13(11,12)8-2-3(6)4(9)7-5(8)10/h2H,1H3,(H,7,9,10)
InChIKeyBLMFZILCTKKUMH-UHFFFAOYSA-N
XLogP-1.52
TPSA89.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.17
LogP ≤ 5-1.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-methylsulfonylpyrimidine-2,4-dione?
The IUPAC name of 5-fluoro-1-methylsulfonylpyrimidine-2,4-dione (CID 582755) is 5-fluoro-1-methylsulfonylpyrimidine-2,4-dione.
What is the SMILES notation for 5-fluoro-1-methylsulfonylpyrimidine-2,4-dione?
The canonical SMILES for 5-fluoro-1-methylsulfonylpyrimidine-2,4-dione is CS(=O)(=O)n1cc(F)c(=O)[nH]c1=O.
What is the InChIKey of 5-fluoro-1-methylsulfonylpyrimidine-2,4-dione?
The InChIKey is BLMFZILCTKKUMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5FN2O4S/c1-13(11,12)8-2-3(6)4(9)7-5(8)10/h2H,1H3,(H,7,9,10).
What are the key properties of 5-fluoro-1-methylsulfonylpyrimidine-2,4-dione?
5-fluoro-1-methylsulfonylpyrimidine-2,4-dione has a molecular weight of 208.17 g/mol, XLogP of -1.52, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-methylsulfonylpyrimidine-2,4-dione is sourced from PubChem (CID 582755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).