5-hydroxy-2-phenyl-1H-pyrimidine-4,6-dione

C10H8N2O3 — CID 91703449

IUPAC5-hydroxy-2-phenyl-1H-pyrimidine-4,6-dione
SMILESO=C1N=C(c2ccccc2)NC(=O)C1O
InChIInChI=1S/C10H8N2O3/c13-7-9(14)11-8(12-10(7)15)6-4-2-1-3-5-6/h1-5,7,13H,(H,11,12,14,15)
InChIKeyPHRLWINAOUSMCP-UHFFFAOYSA-N
MW204.19 g/mol
LogP-0.55
Rot. Bonds1

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

5-hydroxy-2-phenyl-1H-pyrimidine-4,6-dione (PubChem CID 91703449) has the molecular formula C10H8N2O3 and a molecular weight of 204.19 g/mol. Its IUPAC name is 5-hydroxy-2-phenyl-1H-pyrimidine-4,6-dione.

Molecular Properties

Compound Name5-hydroxy-2-phenyl-1H-pyrimidine-4,6-dione
PubChem CID91703449
Molecular FormulaC10H8N2O3
Molecular Weight204.19 g/mol
Exact Mass204.05
IUPAC Name5-hydroxy-2-phenyl-1H-pyrimidine-4,6-dione
SMILESO=C1N=C(c2ccccc2)NC(=O)C1O
InChIInChI=1S/C10H8N2O3/c13-7-9(14)11-8(12-10(7)15)6-4-2-1-3-5-6/h1-5,7,13H,(H,11,12,14,15)
InChIKeyPHRLWINAOUSMCP-UHFFFAOYSA-N
XLogP-0.55
TPSA78.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 5-hydroxy-2-phenyl-1H-pyrimidine-4,6-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-phenyl-1H-pyrimidine-4,6-dione?
The IUPAC name of 5-hydroxy-2-phenyl-1H-pyrimidine-4,6-dione (CID 91703449) is 5-hydroxy-2-phenyl-1H-pyrimidine-4,6-dione.
What is the SMILES notation for 5-hydroxy-2-phenyl-1H-pyrimidine-4,6-dione?
The canonical SMILES for 5-hydroxy-2-phenyl-1H-pyrimidine-4,6-dione is O=C1N=C(c2ccccc2)NC(=O)C1O.
What is the InChIKey of 5-hydroxy-2-phenyl-1H-pyrimidine-4,6-dione?
The InChIKey is PHRLWINAOUSMCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O3/c13-7-9(14)11-8(12-10(7)15)6-4-2-1-3-5-6/h1-5,7,13H,(H,11,12,14,15).
What are the key properties of 5-hydroxy-2-phenyl-1H-pyrimidine-4,6-dione?
5-hydroxy-2-phenyl-1H-pyrimidine-4,6-dione has a molecular weight of 204.19 g/mol, XLogP of -0.55, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-phenyl-1H-pyrimidine-4,6-dione is sourced from PubChem (CID 91703449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).