6-hydroxy-5-prop-2-enylsulfonyl-1H-pyrimidine-2,4-dione

C7H8N2O5S — CID 54009427

IUPAC6-hydroxy-5-prop-2-enylsulfonyl-1H-pyrimidine-2,4-dione
SMILESC=CCS(=O)(=O)c1c(O)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C7H8N2O5S/c1-2-3-15(13,14)4-5(10)8-7(12)9-6(4)11/h2H,1,3H2,(H3,8,9,10,11,12)
InChIKeyKRFZWMVCPLBQFY-UHFFFAOYSA-N
MW232.22 g/mol
LogP-1.27
Rot. Bonds3

About 6-hydroxy-5-prop-2-enylsulfonyl-1H-pyrimidine-2,4-dione

6-hydroxy-5-prop-2-enylsulfonyl-1H-pyrimidine-2,4-dione (PubChem CID 54009427) has the molecular formula C7H8N2O5S and a molecular weight of 232.22 g/mol. Its IUPAC name is 6-hydroxy-5-prop-2-enylsulfonyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-5-prop-2-enylsulfonyl-1H-pyrimidine-2,4-dione
PubChem CID54009427
Molecular FormulaC7H8N2O5S
Molecular Weight232.22 g/mol
Exact Mass232.02
IUPAC Name6-hydroxy-5-prop-2-enylsulfonyl-1H-pyrimidine-2,4-dione
SMILESC=CCS(=O)(=O)c1c(O)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C7H8N2O5S/c1-2-3-15(13,14)4-5(10)8-7(12)9-6(4)11/h2H,1,3H2,(H3,8,9,10,11,12)
InChIKeyKRFZWMVCPLBQFY-UHFFFAOYSA-N
XLogP-1.27
TPSA120.09 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.22
LogP ≤ 5-1.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-5-prop-2-enylsulfonyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-5-prop-2-enylsulfonyl-1H-pyrimidine-2,4-dione (CID 54009427) is 6-hydroxy-5-prop-2-enylsulfonyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-5-prop-2-enylsulfonyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-5-prop-2-enylsulfonyl-1H-pyrimidine-2,4-dione is C=CCS(=O)(=O)c1c(O)[nH]c(=O)[nH]c1=O.
What is the InChIKey of 6-hydroxy-5-prop-2-enylsulfonyl-1H-pyrimidine-2,4-dione?
The InChIKey is KRFZWMVCPLBQFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O5S/c1-2-3-15(13,14)4-5(10)8-7(12)9-6(4)11/h2H,1,3H2,(H3,8,9,10,11,12).
What are the key properties of 6-hydroxy-5-prop-2-enylsulfonyl-1H-pyrimidine-2,4-dione?
6-hydroxy-5-prop-2-enylsulfonyl-1H-pyrimidine-2,4-dione has a molecular weight of 232.22 g/mol, XLogP of -1.27, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-5-prop-2-enylsulfonyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 54009427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).