3-hydroxy-2-propan-2-ylpyrimidin-4-one

C7H10N2O2 — CID 175819738

IUPAC3-hydroxy-2-propan-2-ylpyrimidin-4-one
SMILESCC(C)c1nccc(=O)n1O
InChIInChI=1S/C7H10N2O2/c1-5(2)7-8-4-3-6(10)9(7)11/h3-5,11H,1-2H3
InChIKeyBGNDANRONIYVJD-UHFFFAOYSA-N
MW154.17 g/mol
LogP0.60
Rot. Bonds1

About 3-hydroxy-2-propan-2-ylpyrimidin-4-one

3-hydroxy-2-propan-2-ylpyrimidin-4-one (PubChem CID 175819738) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is 3-hydroxy-2-propan-2-ylpyrimidin-4-one.

Molecular Properties

Compound Name3-hydroxy-2-propan-2-ylpyrimidin-4-one
PubChem CID175819738
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name3-hydroxy-2-propan-2-ylpyrimidin-4-one
SMILESCC(C)c1nccc(=O)n1O
InChIInChI=1S/C7H10N2O2/c1-5(2)7-8-4-3-6(10)9(7)11/h3-5,11H,1-2H3
InChIKeyBGNDANRONIYVJD-UHFFFAOYSA-N
XLogP0.60
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-hydroxy-2-propan-2-ylpyrimidin-4-one 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 3-hydroxy-2-propan-2-ylpyrimidin-4-one?
The IUPAC name of 3-hydroxy-2-propan-2-ylpyrimidin-4-one (CID 175819738) is 3-hydroxy-2-propan-2-ylpyrimidin-4-one.
What is the SMILES notation for 3-hydroxy-2-propan-2-ylpyrimidin-4-one?
The canonical SMILES for 3-hydroxy-2-propan-2-ylpyrimidin-4-one is CC(C)c1nccc(=O)n1O.
What is the InChIKey of 3-hydroxy-2-propan-2-ylpyrimidin-4-one?
The InChIKey is BGNDANRONIYVJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c1-5(2)7-8-4-3-6(10)9(7)11/h3-5,11H,1-2H3.
What are the key properties of 3-hydroxy-2-propan-2-ylpyrimidin-4-one?
3-hydroxy-2-propan-2-ylpyrimidin-4-one has a molecular weight of 154.17 g/mol, XLogP of 0.60, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-propan-2-ylpyrimidin-4-one is sourced from PubChem (CID 175819738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).