4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-6-sulfonic acid

C5H8N2O4S — CID 89335872

IUPAC4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-6-sulfonic acid
SMILESCC1=NC(=O)NC(S(=O)(=O)O)C1
InChIInChI=1S/C5H8N2O4S/c1-3-2-4(12(9,10)11)7-5(8)6-3/h4H,2H2,1H3,(H,7,8)(H,9,10,11)
InChIKeyXEIJSEWIPNFRLS-UHFFFAOYSA-N
MW192.20 g/mol
LogP-0.23
Rot. Bonds1

About 4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-6-sulfonic acid

4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-6-sulfonic acid (PubChem CID 89335872) has the molecular formula C5H8N2O4S and a molecular weight of 192.20 g/mol. Its IUPAC name is 4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-6-sulfonic acid.

Molecular Properties

Compound Name4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-6-sulfonic acid
PubChem CID89335872
Molecular FormulaC5H8N2O4S
Molecular Weight192.20 g/mol
Exact Mass192.02
IUPAC Name4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-6-sulfonic acid
SMILESCC1=NC(=O)NC(S(=O)(=O)O)C1
InChIInChI=1S/C5H8N2O4S/c1-3-2-4(12(9,10)11)7-5(8)6-3/h4H,2H2,1H3,(H,7,8)(H,9,10,11)
InChIKeyXEIJSEWIPNFRLS-UHFFFAOYSA-N
XLogP-0.23
TPSA95.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.20
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-6-sulfonic acid?
The IUPAC name of 4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-6-sulfonic acid (CID 89335872) is 4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-6-sulfonic acid.
What is the SMILES notation for 4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-6-sulfonic acid?
The canonical SMILES for 4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-6-sulfonic acid is CC1=NC(=O)NC(S(=O)(=O)O)C1.
What is the InChIKey of 4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-6-sulfonic acid?
The InChIKey is XEIJSEWIPNFRLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O4S/c1-3-2-4(12(9,10)11)7-5(8)6-3/h4H,2H2,1H3,(H,7,8)(H,9,10,11).
What are the key properties of 4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-6-sulfonic acid?
4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-6-sulfonic acid has a molecular weight of 192.20 g/mol, XLogP of -0.23, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-6-sulfonic acid is sourced from PubChem (CID 89335872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).