4,6-dimethylpyrimidine-2-sulfonyl fluoride

C6H7FN2O2S — CID 14404718

IUPAC4,6-dimethylpyrimidine-2-sulfonyl fluoride
SMILESCc1cc(C)nc(S(=O)(=O)F)n1
InChIInChI=1S/C6H7FN2O2S/c1-4-3-5(2)9-6(8-4)12(7,10)11/h3H,1-2H3
InChIKeyBPDMJOYLYBUPSI-UHFFFAOYSA-N
MW190.20 g/mol
LogP0.75
Rot. Bonds1

About 4,6-dimethylpyrimidine-2-sulfonyl fluoride

4,6-dimethylpyrimidine-2-sulfonyl fluoride (PubChem CID 14404718) has the molecular formula C6H7FN2O2S and a molecular weight of 190.20 g/mol. Its IUPAC name is 4,6-dimethylpyrimidine-2-sulfonyl fluoride.

Molecular Properties

Compound Name4,6-dimethylpyrimidine-2-sulfonyl fluoride
PubChem CID14404718
Molecular FormulaC6H7FN2O2S
Molecular Weight190.20 g/mol
Exact Mass190.02
IUPAC Name4,6-dimethylpyrimidine-2-sulfonyl fluoride
SMILESCc1cc(C)nc(S(=O)(=O)F)n1
InChIInChI=1S/C6H7FN2O2S/c1-4-3-5(2)9-6(8-4)12(7,10)11/h3H,1-2H3
InChIKeyBPDMJOYLYBUPSI-UHFFFAOYSA-N
XLogP0.75
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethylpyrimidine-2-sulfonyl fluoride?
The IUPAC name of 4,6-dimethylpyrimidine-2-sulfonyl fluoride (CID 14404718) is 4,6-dimethylpyrimidine-2-sulfonyl fluoride.
What is the SMILES notation for 4,6-dimethylpyrimidine-2-sulfonyl fluoride?
The canonical SMILES for 4,6-dimethylpyrimidine-2-sulfonyl fluoride is Cc1cc(C)nc(S(=O)(=O)F)n1.
What is the InChIKey of 4,6-dimethylpyrimidine-2-sulfonyl fluoride?
The InChIKey is BPDMJOYLYBUPSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7FN2O2S/c1-4-3-5(2)9-6(8-4)12(7,10)11/h3H,1-2H3.
What are the key properties of 4,6-dimethylpyrimidine-2-sulfonyl fluoride?
4,6-dimethylpyrimidine-2-sulfonyl fluoride has a molecular weight of 190.20 g/mol, XLogP of 0.75, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethylpyrimidine-2-sulfonyl fluoride is sourced from PubChem (CID 14404718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).