4-hydroxy-5-methyl-2-(methylsulfonylmethyl)-1H-pyrimidin-6-one

C7H10N2O4S — CID 63612614

IUPAC4-hydroxy-5-methyl-2-(methylsulfonylmethyl)-1H-pyrimidin-6-one
SMILESCc1c(O)nc(CS(C)(=O)=O)[nH]c1=O
InChIInChI=1S/C7H10N2O4S/c1-4-6(10)8-5(9-7(4)11)3-14(2,12)13/h3H2,1-2H3,(H2,8,9,10,11)
InChIKeySHPOUEVEYBEKMG-UHFFFAOYSA-N
MW218.23 g/mol
LogP-0.67
Rot. Bonds2

About 4-hydroxy-5-methyl-2-(methylsulfonylmethyl)-1H-pyrimidin-6-one

4-hydroxy-5-methyl-2-(methylsulfonylmethyl)-1H-pyrimidin-6-one (PubChem CID 63612614) has the molecular formula C7H10N2O4S and a molecular weight of 218.23 g/mol. Its IUPAC name is 4-hydroxy-5-methyl-2-(methylsulfonylmethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-5-methyl-2-(methylsulfonylmethyl)-1H-pyrimidin-6-one
PubChem CID63612614
Molecular FormulaC7H10N2O4S
Molecular Weight218.23 g/mol
Exact Mass218.04
IUPAC Name4-hydroxy-5-methyl-2-(methylsulfonylmethyl)-1H-pyrimidin-6-one
SMILESCc1c(O)nc(CS(C)(=O)=O)[nH]c1=O
InChIInChI=1S/C7H10N2O4S/c1-4-6(10)8-5(9-7(4)11)3-14(2,12)13/h3H2,1-2H3,(H2,8,9,10,11)
InChIKeySHPOUEVEYBEKMG-UHFFFAOYSA-N
XLogP-0.67
TPSA100.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.23
LogP ≤ 5-0.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-methyl-2-(methylsulfonylmethyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-5-methyl-2-(methylsulfonylmethyl)-1H-pyrimidin-6-one (CID 63612614) is 4-hydroxy-5-methyl-2-(methylsulfonylmethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-5-methyl-2-(methylsulfonylmethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-5-methyl-2-(methylsulfonylmethyl)-1H-pyrimidin-6-one is Cc1c(O)nc(CS(C)(=O)=O)[nH]c1=O.
What is the InChIKey of 4-hydroxy-5-methyl-2-(methylsulfonylmethyl)-1H-pyrimidin-6-one?
The InChIKey is SHPOUEVEYBEKMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O4S/c1-4-6(10)8-5(9-7(4)11)3-14(2,12)13/h3H2,1-2H3,(H2,8,9,10,11).
What are the key properties of 4-hydroxy-5-methyl-2-(methylsulfonylmethyl)-1H-pyrimidin-6-one?
4-hydroxy-5-methyl-2-(methylsulfonylmethyl)-1H-pyrimidin-6-one has a molecular weight of 218.23 g/mol, XLogP of -0.67, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-methyl-2-(methylsulfonylmethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 63612614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).