4-hydroxy-2-(methylsulfonylmethyl)-1H-pyrimidin-6-one

C6H8N2O4S — CID 58137105

IUPAC4-hydroxy-2-(methylsulfonylmethyl)-1H-pyrimidin-6-one
SMILESCS(=O)(=O)Cc1nc(O)cc(=O)[nH]1
InChIInChI=1S/C6H8N2O4S/c1-13(11,12)3-4-7-5(9)2-6(10)8-4/h2H,3H2,1H3,(H2,7,8,9,10)
InChIKeyLIKKOVHKTJXEGI-UHFFFAOYSA-N
MW204.21 g/mol
LogP-0.98
Rot. Bonds2

About 4-hydroxy-2-(methylsulfonylmethyl)-1H-pyrimidin-6-one

4-hydroxy-2-(methylsulfonylmethyl)-1H-pyrimidin-6-one (PubChem CID 58137105) has the molecular formula C6H8N2O4S and a molecular weight of 204.21 g/mol. Its IUPAC name is 4-hydroxy-2-(methylsulfonylmethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-2-(methylsulfonylmethyl)-1H-pyrimidin-6-one
PubChem CID58137105
Molecular FormulaC6H8N2O4S
Molecular Weight204.21 g/mol
Exact Mass204.02
IUPAC Name4-hydroxy-2-(methylsulfonylmethyl)-1H-pyrimidin-6-one
SMILESCS(=O)(=O)Cc1nc(O)cc(=O)[nH]1
InChIInChI=1S/C6H8N2O4S/c1-13(11,12)3-4-7-5(9)2-6(10)8-4/h2H,3H2,1H3,(H2,7,8,9,10)
InChIKeyLIKKOVHKTJXEGI-UHFFFAOYSA-N
XLogP-0.98
TPSA100.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.21
LogP ≤ 5-0.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-(methylsulfonylmethyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-2-(methylsulfonylmethyl)-1H-pyrimidin-6-one (CID 58137105) is 4-hydroxy-2-(methylsulfonylmethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-2-(methylsulfonylmethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-2-(methylsulfonylmethyl)-1H-pyrimidin-6-one is CS(=O)(=O)Cc1nc(O)cc(=O)[nH]1.
What is the InChIKey of 4-hydroxy-2-(methylsulfonylmethyl)-1H-pyrimidin-6-one?
The InChIKey is LIKKOVHKTJXEGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O4S/c1-13(11,12)3-4-7-5(9)2-6(10)8-4/h2H,3H2,1H3,(H2,7,8,9,10).
What are the key properties of 4-hydroxy-2-(methylsulfonylmethyl)-1H-pyrimidin-6-one?
4-hydroxy-2-(methylsulfonylmethyl)-1H-pyrimidin-6-one has a molecular weight of 204.21 g/mol, XLogP of -0.98, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-(methylsulfonylmethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 58137105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).