5-ethenyl-2-methylsulfonylpyrimidine

C7H8N2O2S — CID 119084630

IUPAC5-ethenyl-2-methylsulfonylpyrimidine
SMILESC=Cc1cnc(S(C)(=O)=O)nc1
InChIInChI=1S/C7H8N2O2S/c1-3-6-4-8-7(9-5-6)12(2,10)11/h3-5H,1H2,2H3
InChIKeyBBXMNEVWABBJBL-UHFFFAOYSA-N
MW184.22 g/mol
LogP0.52
Rot. Bonds2

About 5-ethenyl-2-methylsulfonylpyrimidine

5-ethenyl-2-methylsulfonylpyrimidine (PubChem CID 119084630) has the molecular formula C7H8N2O2S and a molecular weight of 184.22 g/mol. Its IUPAC name is 5-ethenyl-2-methylsulfonylpyrimidine.

Molecular Properties

Compound Name5-ethenyl-2-methylsulfonylpyrimidine
PubChem CID119084630
Molecular FormulaC7H8N2O2S
Molecular Weight184.22 g/mol
Exact Mass184.03
IUPAC Name5-ethenyl-2-methylsulfonylpyrimidine
SMILESC=Cc1cnc(S(C)(=O)=O)nc1
InChIInChI=1S/C7H8N2O2S/c1-3-6-4-8-7(9-5-6)12(2,10)11/h3-5H,1H2,2H3
InChIKeyBBXMNEVWABBJBL-UHFFFAOYSA-N
XLogP0.52
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.22
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-2-methylsulfonylpyrimidine?
The IUPAC name of 5-ethenyl-2-methylsulfonylpyrimidine (CID 119084630) is 5-ethenyl-2-methylsulfonylpyrimidine.
What is the SMILES notation for 5-ethenyl-2-methylsulfonylpyrimidine?
The canonical SMILES for 5-ethenyl-2-methylsulfonylpyrimidine is C=Cc1cnc(S(C)(=O)=O)nc1.
What is the InChIKey of 5-ethenyl-2-methylsulfonylpyrimidine?
The InChIKey is BBXMNEVWABBJBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O2S/c1-3-6-4-8-7(9-5-6)12(2,10)11/h3-5H,1H2,2H3.
What are the key properties of 5-ethenyl-2-methylsulfonylpyrimidine?
5-ethenyl-2-methylsulfonylpyrimidine has a molecular weight of 184.22 g/mol, XLogP of 0.52, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-2-methylsulfonylpyrimidine is sourced from PubChem (CID 119084630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).