6-oxo-2-(oxolan-2-yl)-1H-pyrimidine-5-carboxylic acid

C9H10N2O4 — CID 65328604

IUPAC6-oxo-2-(oxolan-2-yl)-1H-pyrimidine-5-carboxylic acid
SMILESO=C(O)c1cnc(C2CCCO2)[nH]c1=O
InChIInChI=1S/C9H10N2O4/c12-8-5(9(13)14)4-10-7(11-8)6-2-1-3-15-6/h4,6H,1-3H2,(H,13,14)(H,10,11,12)
InChIKeyWPXPEGCWYVSZJX-UHFFFAOYSA-N
MW210.19 g/mol
LogP0.32
Rot. Bonds2

About 6-oxo-2-(oxolan-2-yl)-1H-pyrimidine-5-carboxylic acid

6-oxo-2-(oxolan-2-yl)-1H-pyrimidine-5-carboxylic acid (PubChem CID 65328604) has the molecular formula C9H10N2O4 and a molecular weight of 210.19 g/mol. Its IUPAC name is 6-oxo-2-(oxolan-2-yl)-1H-pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name6-oxo-2-(oxolan-2-yl)-1H-pyrimidine-5-carboxylic acid
PubChem CID65328604
Molecular FormulaC9H10N2O4
Molecular Weight210.19 g/mol
Exact Mass210.06
IUPAC Name6-oxo-2-(oxolan-2-yl)-1H-pyrimidine-5-carboxylic acid
SMILESO=C(O)c1cnc(C2CCCO2)[nH]c1=O
InChIInChI=1S/C9H10N2O4/c12-8-5(9(13)14)4-10-7(11-8)6-2-1-3-15-6/h4,6H,1-3H2,(H,13,14)(H,10,11,12)
InChIKeyWPXPEGCWYVSZJX-UHFFFAOYSA-N
XLogP0.32
TPSA92.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-oxo-2-(oxolan-2-yl)-1H-pyrimidine-5-carboxylic acid 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 6-oxo-2-(oxolan-2-yl)-1H-pyrimidine-5-carboxylic acid?
The IUPAC name of 6-oxo-2-(oxolan-2-yl)-1H-pyrimidine-5-carboxylic acid (CID 65328604) is 6-oxo-2-(oxolan-2-yl)-1H-pyrimidine-5-carboxylic acid.
What is the SMILES notation for 6-oxo-2-(oxolan-2-yl)-1H-pyrimidine-5-carboxylic acid?
The canonical SMILES for 6-oxo-2-(oxolan-2-yl)-1H-pyrimidine-5-carboxylic acid is O=C(O)c1cnc(C2CCCO2)[nH]c1=O.
What is the InChIKey of 6-oxo-2-(oxolan-2-yl)-1H-pyrimidine-5-carboxylic acid?
The InChIKey is WPXPEGCWYVSZJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O4/c12-8-5(9(13)14)4-10-7(11-8)6-2-1-3-15-6/h4,6H,1-3H2,(H,13,14)(H,10,11,12).
What are the key properties of 6-oxo-2-(oxolan-2-yl)-1H-pyrimidine-5-carboxylic acid?
6-oxo-2-(oxolan-2-yl)-1H-pyrimidine-5-carboxylic acid has a molecular weight of 210.19 g/mol, XLogP of 0.32, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-2-(oxolan-2-yl)-1H-pyrimidine-5-carboxylic acid is sourced from PubChem (CID 65328604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).