2-methylsulfonylpyrimidin-5-ol

C5H6N2O3S — CID 4567820

IUPAC2-methylsulfonylpyrimidin-5-ol
SMILESCS(=O)(=O)c1ncc(O)cn1
InChIInChI=1S/C5H6N2O3S/c1-11(9,10)5-6-2-4(8)3-7-5/h2-3,8H,1H3
InChIKeyZWBVWXWEOSZANB-UHFFFAOYSA-N
MW174.18 g/mol
LogP-0.41
Rot. Bonds1

About 2-methylsulfonylpyrimidin-5-ol

2-methylsulfonylpyrimidin-5-ol (PubChem CID 4567820) has the molecular formula C5H6N2O3S and a molecular weight of 174.18 g/mol. Its IUPAC name is 2-methylsulfonylpyrimidin-5-ol.

Molecular Properties

Compound Name2-methylsulfonylpyrimidin-5-ol
PubChem CID4567820
Molecular FormulaC5H6N2O3S
Molecular Weight174.18 g/mol
Exact Mass174.01
IUPAC Name2-methylsulfonylpyrimidin-5-ol
SMILESCS(=O)(=O)c1ncc(O)cn1
InChIInChI=1S/C5H6N2O3S/c1-11(9,10)5-6-2-4(8)3-7-5/h2-3,8H,1H3
InChIKeyZWBVWXWEOSZANB-UHFFFAOYSA-N
XLogP-0.41
TPSA80.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.18
LogP ≤ 5-0.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonylpyrimidin-5-ol?
The IUPAC name of 2-methylsulfonylpyrimidin-5-ol (CID 4567820) is 2-methylsulfonylpyrimidin-5-ol.
What is the SMILES notation for 2-methylsulfonylpyrimidin-5-ol?
The canonical SMILES for 2-methylsulfonylpyrimidin-5-ol is CS(=O)(=O)c1ncc(O)cn1.
What is the InChIKey of 2-methylsulfonylpyrimidin-5-ol?
The InChIKey is ZWBVWXWEOSZANB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O3S/c1-11(9,10)5-6-2-4(8)3-7-5/h2-3,8H,1H3.
What are the key properties of 2-methylsulfonylpyrimidin-5-ol?
2-methylsulfonylpyrimidin-5-ol has a molecular weight of 174.18 g/mol, XLogP of -0.41, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonylpyrimidin-5-ol is sourced from PubChem (CID 4567820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).