2-(2,2-dimethylcyclopropyl)-4-hydroxy-1H-pyrimidin-6-one

C9H12N2O2 — CID 107925350

IUPAC2-(2,2-dimethylcyclopropyl)-4-hydroxy-1H-pyrimidin-6-one
SMILESCC1(C)CC1c1nc(O)cc(=O)[nH]1
InChIInChI=1S/C9H12N2O2/c1-9(2)4-5(9)8-10-6(12)3-7(13)11-8/h3,5H,4H2,1-2H3,(H2,10,11,12,13)
InChIKeyGPHXLWMMHBBANF-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.99
Rot. Bonds1

About 2-(2,2-dimethylcyclopropyl)-4-hydroxy-1H-pyrimidin-6-one

2-(2,2-dimethylcyclopropyl)-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 107925350) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 2-(2,2-dimethylcyclopropyl)-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(2,2-dimethylcyclopropyl)-4-hydroxy-1H-pyrimidin-6-one
PubChem CID107925350
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name2-(2,2-dimethylcyclopropyl)-4-hydroxy-1H-pyrimidin-6-one
SMILESCC1(C)CC1c1nc(O)cc(=O)[nH]1
InChIInChI=1S/C9H12N2O2/c1-9(2)4-5(9)8-10-6(12)3-7(13)11-8/h3,5H,4H2,1-2H3,(H2,10,11,12,13)
InChIKeyGPHXLWMMHBBANF-UHFFFAOYSA-N
XLogP0.99
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(2,2-dimethylcyclopropyl)-4-hydroxy-1H-pyrimidin-6-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 2-(2,2-dimethylcyclopropyl)-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 2-(2,2-dimethylcyclopropyl)-4-hydroxy-1H-pyrimidin-6-one (CID 107925350) is 2-(2,2-dimethylcyclopropyl)-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(2,2-dimethylcyclopropyl)-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-(2,2-dimethylcyclopropyl)-4-hydroxy-1H-pyrimidin-6-one is CC1(C)CC1c1nc(O)cc(=O)[nH]1.
What is the InChIKey of 2-(2,2-dimethylcyclopropyl)-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is GPHXLWMMHBBANF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-9(2)4-5(9)8-10-6(12)3-7(13)11-8/h3,5H,4H2,1-2H3,(H2,10,11,12,13).
What are the key properties of 2-(2,2-dimethylcyclopropyl)-4-hydroxy-1H-pyrimidin-6-one?
2-(2,2-dimethylcyclopropyl)-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 180.21 g/mol, XLogP of 0.99, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylcyclopropyl)-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 107925350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).