1-(1-hydroxyethyl)pyrimidine-2,4-dione

C6H8N2O3 — CID 23431606

IUPAC1-(1-hydroxyethyl)pyrimidine-2,4-dione
SMILESCC(O)n1ccc(=O)[nH]c1=O
InChIInChI=1S/C6H8N2O3/c1-4(9)8-3-2-5(10)7-6(8)11/h2-4,9H,1H3,(H,7,10,11)
InChIKeyJAOHJVRUZISXAM-UHFFFAOYSA-N
MW156.14 g/mol
LogP-0.95
Rot. Bonds1

About 1-(1-hydroxyethyl)pyrimidine-2,4-dione

1-(1-hydroxyethyl)pyrimidine-2,4-dione (PubChem CID 23431606) has the molecular formula C6H8N2O3 and a molecular weight of 156.14 g/mol. Its IUPAC name is 1-(1-hydroxyethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(1-hydroxyethyl)pyrimidine-2,4-dione
PubChem CID23431606
Molecular FormulaC6H8N2O3
Molecular Weight156.14 g/mol
Exact Mass156.05
IUPAC Name1-(1-hydroxyethyl)pyrimidine-2,4-dione
SMILESCC(O)n1ccc(=O)[nH]c1=O
InChIInChI=1S/C6H8N2O3/c1-4(9)8-3-2-5(10)7-6(8)11/h2-4,9H,1H3,(H,7,10,11)
InChIKeyJAOHJVRUZISXAM-UHFFFAOYSA-N
XLogP-0.95
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.14
LogP ≤ 5-0.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(1-hydroxyethyl)pyrimidine-2,4-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 1-(1-hydroxyethyl)pyrimidine-2,4-dione?
The IUPAC name of 1-(1-hydroxyethyl)pyrimidine-2,4-dione (CID 23431606) is 1-(1-hydroxyethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 1-(1-hydroxyethyl)pyrimidine-2,4-dione?
The canonical SMILES for 1-(1-hydroxyethyl)pyrimidine-2,4-dione is CC(O)n1ccc(=O)[nH]c1=O.
What is the InChIKey of 1-(1-hydroxyethyl)pyrimidine-2,4-dione?
The InChIKey is JAOHJVRUZISXAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O3/c1-4(9)8-3-2-5(10)7-6(8)11/h2-4,9H,1H3,(H,7,10,11).
What are the key properties of 1-(1-hydroxyethyl)pyrimidine-2,4-dione?
1-(1-hydroxyethyl)pyrimidine-2,4-dione has a molecular weight of 156.14 g/mol, XLogP of -0.95, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxyethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 23431606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).