3-hydroxy-1H-pyrimidine-2,4-dione

C4H4N2O3 — CID 5168906

IUPAC3-hydroxy-1H-pyrimidine-2,4-dione
SMILESO=c1cc[nH]c(=O)n1O
InChIInChI=1S/C4H4N2O3/c7-3-1-2-5-4(8)6(3)9/h1-2,9H,(H,5,8)
InChIKeyDUXOCKGSBICXJB-UHFFFAOYSA-N
MW128.09 g/mol
LogP-1.23
Rot. Bonds

About 3-hydroxy-1H-pyrimidine-2,4-dione

3-hydroxy-1H-pyrimidine-2,4-dione (PubChem CID 5168906) has the molecular formula C4H4N2O3 and a molecular weight of 128.09 g/mol. Its IUPAC name is 3-hydroxy-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-hydroxy-1H-pyrimidine-2,4-dione
PubChem CID5168906
Molecular FormulaC4H4N2O3
Molecular Weight128.09 g/mol
Exact Mass128.02
IUPAC Name3-hydroxy-1H-pyrimidine-2,4-dione
SMILESO=c1cc[nH]c(=O)n1O
InChIInChI=1S/C4H4N2O3/c7-3-1-2-5-4(8)6(3)9/h1-2,9H,(H,5,8)
InChIKeyDUXOCKGSBICXJB-UHFFFAOYSA-N
XLogP-1.23
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.09
LogP ≤ 5-1.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1H-pyrimidine-2,4-dione?
The IUPAC name of 3-hydroxy-1H-pyrimidine-2,4-dione (CID 5168906) is 3-hydroxy-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-hydroxy-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-hydroxy-1H-pyrimidine-2,4-dione is O=c1cc[nH]c(=O)n1O.
What is the InChIKey of 3-hydroxy-1H-pyrimidine-2,4-dione?
The InChIKey is DUXOCKGSBICXJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N2O3/c7-3-1-2-5-4(8)6(3)9/h1-2,9H,(H,5,8).
What are the key properties of 3-hydroxy-1H-pyrimidine-2,4-dione?
3-hydroxy-1H-pyrimidine-2,4-dione has a molecular weight of 128.09 g/mol, XLogP of -1.23, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 5168906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).