2-ethylsulfonylpyrimidin-5-ol

C6H8N2O3S — CID 75480817

IUPAC2-ethylsulfonylpyrimidin-5-ol
SMILESCCS(=O)(=O)c1ncc(O)cn1
InChIInChI=1S/C6H8N2O3S/c1-2-12(10,11)6-7-3-5(9)4-8-6/h3-4,9H,2H2,1H3
InChIKeyIVIRUQJPSVIFCO-UHFFFAOYSA-N
MW188.21 g/mol
LogP-0.02
Rot. Bonds2

About 2-ethylsulfonylpyrimidin-5-ol

2-ethylsulfonylpyrimidin-5-ol (PubChem CID 75480817) has the molecular formula C6H8N2O3S and a molecular weight of 188.21 g/mol. Its IUPAC name is 2-ethylsulfonylpyrimidin-5-ol.

Molecular Properties

Compound Name2-ethylsulfonylpyrimidin-5-ol
PubChem CID75480817
Molecular FormulaC6H8N2O3S
Molecular Weight188.21 g/mol
Exact Mass188.03
IUPAC Name2-ethylsulfonylpyrimidin-5-ol
SMILESCCS(=O)(=O)c1ncc(O)cn1
InChIInChI=1S/C6H8N2O3S/c1-2-12(10,11)6-7-3-5(9)4-8-6/h3-4,9H,2H2,1H3
InChIKeyIVIRUQJPSVIFCO-UHFFFAOYSA-N
XLogP-0.02
TPSA80.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.21
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfonylpyrimidin-5-ol?
The IUPAC name of 2-ethylsulfonylpyrimidin-5-ol (CID 75480817) is 2-ethylsulfonylpyrimidin-5-ol.
What is the SMILES notation for 2-ethylsulfonylpyrimidin-5-ol?
The canonical SMILES for 2-ethylsulfonylpyrimidin-5-ol is CCS(=O)(=O)c1ncc(O)cn1.
What is the InChIKey of 2-ethylsulfonylpyrimidin-5-ol?
The InChIKey is IVIRUQJPSVIFCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O3S/c1-2-12(10,11)6-7-3-5(9)4-8-6/h3-4,9H,2H2,1H3.
What are the key properties of 2-ethylsulfonylpyrimidin-5-ol?
2-ethylsulfonylpyrimidin-5-ol has a molecular weight of 188.21 g/mol, XLogP of -0.02, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfonylpyrimidin-5-ol is sourced from PubChem (CID 75480817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).