5-fluoro-2-methylsulfonylpyrimidine

C5H5FN2O2S — CID 566379

IUPAC5-fluoro-2-methylsulfonylpyrimidine
SMILESCS(=O)(=O)c1ncc(F)cn1
InChIInChI=1S/C5H5FN2O2S/c1-11(9,10)5-7-2-4(6)3-8-5/h2-3H,1H3
InChIKeyCGZXTNCFCUZUBZ-UHFFFAOYSA-N
MW176.17 g/mol
LogP0.02
Rot. Bonds1

About 5-fluoro-2-methylsulfonylpyrimidine

5-fluoro-2-methylsulfonylpyrimidine (PubChem CID 566379) has the molecular formula C5H5FN2O2S and a molecular weight of 176.17 g/mol. Its IUPAC name is 5-fluoro-2-methylsulfonylpyrimidine.

Molecular Properties

Compound Name5-fluoro-2-methylsulfonylpyrimidine
PubChem CID566379
Molecular FormulaC5H5FN2O2S
Molecular Weight176.17 g/mol
Exact Mass176.01
IUPAC Name5-fluoro-2-methylsulfonylpyrimidine
SMILESCS(=O)(=O)c1ncc(F)cn1
InChIInChI=1S/C5H5FN2O2S/c1-11(9,10)5-7-2-4(6)3-8-5/h2-3H,1H3
InChIKeyCGZXTNCFCUZUBZ-UHFFFAOYSA-N
XLogP0.02
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 50.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-Chloro-2-methanesulfonylpyrimidine
CID 2727725
Pyrimidine-2-sulfonamide
CID 18547005
2-(Methylsulphonyl)pyrimidine
CID 13289225
5-Bromo-2-(methylsulphonyl)pyrimidine
CID 319286
US10058550, Example 676.0
CID 122701357
2-(Methanesulfonyl)-5-(tributylstannyl)pyrimidine
CID 2763272
4-Fluoro-2-(methylsulfanyl)pyrimidine
CID 10261244
Pyrimidine-2-sulfonyl fluoride
CID 12175574
2-Methanesulfonylpyrimidin-5-amine
CID 549170
5-fluoro-N,N-dimethyl-2-(methylsulfanyl)pyrimidin-4-amine
CID 685638
4-Fluoro-5-iodo-2-methylsulfanylpyrimidine
CID 10015936
2-(Methylthio)pyrimidine-5-boronic acid
CID 2763263

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methylsulfonylpyrimidine?
The IUPAC name of 5-fluoro-2-methylsulfonylpyrimidine (CID 566379) is 5-fluoro-2-methylsulfonylpyrimidine.
What is the SMILES notation for 5-fluoro-2-methylsulfonylpyrimidine?
The canonical SMILES for 5-fluoro-2-methylsulfonylpyrimidine is CS(=O)(=O)c1ncc(F)cn1.
What is the InChIKey of 5-fluoro-2-methylsulfonylpyrimidine?
The InChIKey is CGZXTNCFCUZUBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5FN2O2S/c1-11(9,10)5-7-2-4(6)3-8-5/h2-3H,1H3.
What are the key properties of 5-fluoro-2-methylsulfonylpyrimidine?
5-fluoro-2-methylsulfonylpyrimidine has a molecular weight of 176.17 g/mol, XLogP of 0.02, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methylsulfonylpyrimidine is sourced from PubChem (CID 566379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).