4-methyl-2-(oxolan-2-yl)pyrimidine-5-carboxylic acid

C10H12N2O3 — CID 65328546

IUPAC4-methyl-2-(oxolan-2-yl)pyrimidine-5-carboxylic acid
SMILESCc1nc(C2CCCO2)ncc1C(=O)O
InChIInChI=1S/C10H12N2O3/c1-6-7(10(13)14)5-11-9(12-6)8-3-2-4-15-8/h5,8H,2-4H2,1H3,(H,13,14)
InChIKeyRXPRXQGPZKZTKB-UHFFFAOYSA-N
MW208.22 g/mol
LogP1.33
Rot. Bonds2

About 4-methyl-2-(oxolan-2-yl)pyrimidine-5-carboxylic acid

4-methyl-2-(oxolan-2-yl)pyrimidine-5-carboxylic acid (PubChem CID 65328546) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is 4-methyl-2-(oxolan-2-yl)pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-(oxolan-2-yl)pyrimidine-5-carboxylic acid
PubChem CID65328546
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Name4-methyl-2-(oxolan-2-yl)pyrimidine-5-carboxylic acid
SMILESCc1nc(C2CCCO2)ncc1C(=O)O
InChIInChI=1S/C10H12N2O3/c1-6-7(10(13)14)5-11-9(12-6)8-3-2-4-15-8/h5,8H,2-4H2,1H3,(H,13,14)
InChIKeyRXPRXQGPZKZTKB-UHFFFAOYSA-N
XLogP1.33
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-methyl-2-(oxolan-2-yl)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 4-methyl-2-(oxolan-2-yl)pyrimidine-5-carboxylic acid?
The IUPAC name of 4-methyl-2-(oxolan-2-yl)pyrimidine-5-carboxylic acid (CID 65328546) is 4-methyl-2-(oxolan-2-yl)pyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-methyl-2-(oxolan-2-yl)pyrimidine-5-carboxylic acid?
The canonical SMILES for 4-methyl-2-(oxolan-2-yl)pyrimidine-5-carboxylic acid is Cc1nc(C2CCCO2)ncc1C(=O)O.
What is the InChIKey of 4-methyl-2-(oxolan-2-yl)pyrimidine-5-carboxylic acid?
The InChIKey is RXPRXQGPZKZTKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3/c1-6-7(10(13)14)5-11-9(12-6)8-3-2-4-15-8/h5,8H,2-4H2,1H3,(H,13,14).
What are the key properties of 4-methyl-2-(oxolan-2-yl)pyrimidine-5-carboxylic acid?
4-methyl-2-(oxolan-2-yl)pyrimidine-5-carboxylic acid has a molecular weight of 208.22 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(oxolan-2-yl)pyrimidine-5-carboxylic acid is sourced from PubChem (CID 65328546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).