2-(2-methylsulfonylethyl)pyrimidine

C7H10N2O2S — CID 119082925

IUPAC2-(2-methylsulfonylethyl)pyrimidine
SMILESCS(=O)(=O)CCc1ncccn1
InChIInChI=1S/C7H10N2O2S/c1-12(10,11)6-3-7-8-4-2-5-9-7/h2,4-5H,3,6H2,1H3
InChIKeyAXNFNCXGOLYZHN-UHFFFAOYSA-N
MW186.24 g/mol
LogP0.06
Rot. Bonds3

About 2-(2-methylsulfonylethyl)pyrimidine

2-(2-methylsulfonylethyl)pyrimidine (PubChem CID 119082925) has the molecular formula C7H10N2O2S and a molecular weight of 186.24 g/mol. Its IUPAC name is 2-(2-methylsulfonylethyl)pyrimidine.

Molecular Properties

Compound Name2-(2-methylsulfonylethyl)pyrimidine
PubChem CID119082925
Molecular FormulaC7H10N2O2S
Molecular Weight186.24 g/mol
Exact Mass186.05
IUPAC Name2-(2-methylsulfonylethyl)pyrimidine
SMILESCS(=O)(=O)CCc1ncccn1
InChIInChI=1S/C7H10N2O2S/c1-12(10,11)6-3-7-8-4-2-5-9-7/h2,4-5H,3,6H2,1H3
InChIKeyAXNFNCXGOLYZHN-UHFFFAOYSA-N
XLogP0.06
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.24
LogP ≤ 50.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylsulfonylethyl)pyrimidine?
The IUPAC name of 2-(2-methylsulfonylethyl)pyrimidine (CID 119082925) is 2-(2-methylsulfonylethyl)pyrimidine.
What is the SMILES notation for 2-(2-methylsulfonylethyl)pyrimidine?
The canonical SMILES for 2-(2-methylsulfonylethyl)pyrimidine is CS(=O)(=O)CCc1ncccn1.
What is the InChIKey of 2-(2-methylsulfonylethyl)pyrimidine?
The InChIKey is AXNFNCXGOLYZHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2S/c1-12(10,11)6-3-7-8-4-2-5-9-7/h2,4-5H,3,6H2,1H3.
What are the key properties of 2-(2-methylsulfonylethyl)pyrimidine?
2-(2-methylsulfonylethyl)pyrimidine has a molecular weight of 186.24 g/mol, XLogP of 0.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylsulfonylethyl)pyrimidine is sourced from PubChem (CID 119082925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).