2,4,6-trifluoro-5-methylsulfonylpyrimidine

C5H3F3N2O2S — CID 19738394

IUPAC2,4,6-trifluoro-5-methylsulfonylpyrimidine
SMILESCS(=O)(=O)c1c(F)nc(F)nc1F
InChIInChI=1S/C5H3F3N2O2S/c1-13(11,12)2-3(6)9-5(8)10-4(2)7/h1H3
InChIKeyCZHWBISSOIPPNL-UHFFFAOYSA-N
MW212.15 g/mol
LogP0.30
Rot. Bonds1

About 2,4,6-trifluoro-5-methylsulfonylpyrimidine

2,4,6-trifluoro-5-methylsulfonylpyrimidine (PubChem CID 19738394) has the molecular formula C5H3F3N2O2S and a molecular weight of 212.15 g/mol. Its IUPAC name is 2,4,6-trifluoro-5-methylsulfonylpyrimidine.

Molecular Properties

Compound Name2,4,6-trifluoro-5-methylsulfonylpyrimidine
PubChem CID19738394
Molecular FormulaC5H3F3N2O2S
Molecular Weight212.15 g/mol
Exact Mass211.99
IUPAC Name2,4,6-trifluoro-5-methylsulfonylpyrimidine
SMILESCS(=O)(=O)c1c(F)nc(F)nc1F
InChIInChI=1S/C5H3F3N2O2S/c1-13(11,12)2-3(6)9-5(8)10-4(2)7/h1H3
InChIKeyCZHWBISSOIPPNL-UHFFFAOYSA-N
XLogP0.30
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.15
LogP ≤ 50.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-trifluoro-5-methylsulfonylpyrimidine?
The IUPAC name of 2,4,6-trifluoro-5-methylsulfonylpyrimidine (CID 19738394) is 2,4,6-trifluoro-5-methylsulfonylpyrimidine.
What is the SMILES notation for 2,4,6-trifluoro-5-methylsulfonylpyrimidine?
The canonical SMILES for 2,4,6-trifluoro-5-methylsulfonylpyrimidine is CS(=O)(=O)c1c(F)nc(F)nc1F.
What is the InChIKey of 2,4,6-trifluoro-5-methylsulfonylpyrimidine?
The InChIKey is CZHWBISSOIPPNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F3N2O2S/c1-13(11,12)2-3(6)9-5(8)10-4(2)7/h1H3.
What are the key properties of 2,4,6-trifluoro-5-methylsulfonylpyrimidine?
2,4,6-trifluoro-5-methylsulfonylpyrimidine has a molecular weight of 212.15 g/mol, XLogP of 0.30, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trifluoro-5-methylsulfonylpyrimidine is sourced from PubChem (CID 19738394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).