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

C9H12N2O4 — CID 79198178

IUPAC2-(2-methoxypropan-2-yl)-6-oxo-1H-pyrimidine-5-carboxylic acid
SMILESCOC(C)(C)c1ncc(C(=O)O)c(=O)[nH]1
InChIInChI=1S/C9H12N2O4/c1-9(2,15-3)8-10-4-5(7(13)14)6(12)11-8/h4H,1-3H3,(H,13,14)(H,10,11,12)
InChIKeyXWASPNMCRDQNLU-UHFFFAOYSA-N
MW212.20 g/mol
LogP0.35
Rot. Bonds3

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

2-(2-methoxypropan-2-yl)-6-oxo-1H-pyrimidine-5-carboxylic acid (PubChem CID 79198178) has the molecular formula C9H12N2O4 and a molecular weight of 212.20 g/mol. Its IUPAC name is 2-(2-methoxypropan-2-yl)-6-oxo-1H-pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-(2-methoxypropan-2-yl)-6-oxo-1H-pyrimidine-5-carboxylic acid
PubChem CID79198178
Molecular FormulaC9H12N2O4
Molecular Weight212.20 g/mol
Exact Mass212.08
IUPAC Name2-(2-methoxypropan-2-yl)-6-oxo-1H-pyrimidine-5-carboxylic acid
SMILESCOC(C)(C)c1ncc(C(=O)O)c(=O)[nH]1
InChIInChI=1S/C9H12N2O4/c1-9(2,15-3)8-10-4-5(7(13)14)6(12)11-8/h4H,1-3H3,(H,13,14)(H,10,11,12)
InChIKeyXWASPNMCRDQNLU-UHFFFAOYSA-N
XLogP0.35
TPSA92.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(2-methoxypropan-2-yl)-6-oxo-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 2-(2-methoxypropan-2-yl)-6-oxo-1H-pyrimidine-5-carboxylic acid?
The IUPAC name of 2-(2-methoxypropan-2-yl)-6-oxo-1H-pyrimidine-5-carboxylic acid (CID 79198178) is 2-(2-methoxypropan-2-yl)-6-oxo-1H-pyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-(2-methoxypropan-2-yl)-6-oxo-1H-pyrimidine-5-carboxylic acid?
The canonical SMILES for 2-(2-methoxypropan-2-yl)-6-oxo-1H-pyrimidine-5-carboxylic acid is COC(C)(C)c1ncc(C(=O)O)c(=O)[nH]1.
What is the InChIKey of 2-(2-methoxypropan-2-yl)-6-oxo-1H-pyrimidine-5-carboxylic acid?
The InChIKey is XWASPNMCRDQNLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O4/c1-9(2,15-3)8-10-4-5(7(13)14)6(12)11-8/h4H,1-3H3,(H,13,14)(H,10,11,12).
What are the key properties of 2-(2-methoxypropan-2-yl)-6-oxo-1H-pyrimidine-5-carboxylic acid?
2-(2-methoxypropan-2-yl)-6-oxo-1H-pyrimidine-5-carboxylic acid has a molecular weight of 212.20 g/mol, XLogP of 0.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxypropan-2-yl)-6-oxo-1H-pyrimidine-5-carboxylic acid is sourced from PubChem (CID 79198178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).