5-(difluoromethoxy)-2-methylsulfonylpyrimidine

C6H6F2N2O3S — CID 67072624

IUPAC5-(difluoromethoxy)-2-methylsulfonylpyrimidine
SMILESCS(=O)(=O)c1ncc(OC(F)F)cn1
InChIInChI=1S/C6H6F2N2O3S/c1-14(11,12)6-9-2-4(3-10-6)13-5(7)8/h2-3,5H,1H3
InChIKeyJWGVYJBAFIWHFM-UHFFFAOYSA-N
MW224.19 g/mol
LogP0.48
Rot. Bonds3

About 5-(difluoromethoxy)-2-methylsulfonylpyrimidine

5-(difluoromethoxy)-2-methylsulfonylpyrimidine (PubChem CID 67072624) has the molecular formula C6H6F2N2O3S and a molecular weight of 224.19 g/mol. Its IUPAC name is 5-(difluoromethoxy)-2-methylsulfonylpyrimidine.

Molecular Properties

Compound Name5-(difluoromethoxy)-2-methylsulfonylpyrimidine
PubChem CID67072624
Molecular FormulaC6H6F2N2O3S
Molecular Weight224.19 g/mol
Exact Mass224.01
IUPAC Name5-(difluoromethoxy)-2-methylsulfonylpyrimidine
SMILESCS(=O)(=O)c1ncc(OC(F)F)cn1
InChIInChI=1S/C6H6F2N2O3S/c1-14(11,12)6-9-2-4(3-10-6)13-5(7)8/h2-3,5H,1H3
InChIKeyJWGVYJBAFIWHFM-UHFFFAOYSA-N
XLogP0.48
TPSA69.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.19
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-(difluoromethoxy)-2-methylsulfonylpyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethoxy)-2-methylsulfonylpyrimidine?
The IUPAC name of 5-(difluoromethoxy)-2-methylsulfonylpyrimidine (CID 67072624) is 5-(difluoromethoxy)-2-methylsulfonylpyrimidine.
What is the SMILES notation for 5-(difluoromethoxy)-2-methylsulfonylpyrimidine?
The canonical SMILES for 5-(difluoromethoxy)-2-methylsulfonylpyrimidine is CS(=O)(=O)c1ncc(OC(F)F)cn1.
What is the InChIKey of 5-(difluoromethoxy)-2-methylsulfonylpyrimidine?
The InChIKey is JWGVYJBAFIWHFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F2N2O3S/c1-14(11,12)6-9-2-4(3-10-6)13-5(7)8/h2-3,5H,1H3.
What are the key properties of 5-(difluoromethoxy)-2-methylsulfonylpyrimidine?
5-(difluoromethoxy)-2-methylsulfonylpyrimidine has a molecular weight of 224.19 g/mol, XLogP of 0.48, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethoxy)-2-methylsulfonylpyrimidine is sourced from PubChem (CID 67072624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).