3-[4,6-dimethyl-2-(oxolan-2-yl)pyrimidin-5-yl]propanoic acid

C13H18N2O3 — CID 65328486

IUPAC3-[4,6-dimethyl-2-(oxolan-2-yl)pyrimidin-5-yl]propanoic acid
SMILESCc1nc(C2CCCO2)nc(C)c1CCC(=O)O
InChIInChI=1S/C13H18N2O3/c1-8-10(5-6-12(16)17)9(2)15-13(14-8)11-4-3-7-18-11/h11H,3-7H2,1-2H3,(H,16,17)
InChIKeyAJWKQGRCTFUXCR-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.96
Rot. Bonds4

About 3-[4,6-dimethyl-2-(oxolan-2-yl)pyrimidin-5-yl]propanoic acid

3-[4,6-dimethyl-2-(oxolan-2-yl)pyrimidin-5-yl]propanoic acid (PubChem CID 65328486) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 3-[4,6-dimethyl-2-(oxolan-2-yl)pyrimidin-5-yl]propanoic acid.

Molecular Properties

Compound Name3-[4,6-dimethyl-2-(oxolan-2-yl)pyrimidin-5-yl]propanoic acid
PubChem CID65328486
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name3-[4,6-dimethyl-2-(oxolan-2-yl)pyrimidin-5-yl]propanoic acid
SMILESCc1nc(C2CCCO2)nc(C)c1CCC(=O)O
InChIInChI=1S/C13H18N2O3/c1-8-10(5-6-12(16)17)9(2)15-13(14-8)11-4-3-7-18-11/h11H,3-7H2,1-2H3,(H,16,17)
InChIKeyAJWKQGRCTFUXCR-UHFFFAOYSA-N
XLogP1.96
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[4,6-dimethyl-2-(oxolan-2-yl)pyrimidin-5-yl]propanoic 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 3-[4,6-dimethyl-2-(oxolan-2-yl)pyrimidin-5-yl]propanoic acid?
The IUPAC name of 3-[4,6-dimethyl-2-(oxolan-2-yl)pyrimidin-5-yl]propanoic acid (CID 65328486) is 3-[4,6-dimethyl-2-(oxolan-2-yl)pyrimidin-5-yl]propanoic acid.
What is the SMILES notation for 3-[4,6-dimethyl-2-(oxolan-2-yl)pyrimidin-5-yl]propanoic acid?
The canonical SMILES for 3-[4,6-dimethyl-2-(oxolan-2-yl)pyrimidin-5-yl]propanoic acid is Cc1nc(C2CCCO2)nc(C)c1CCC(=O)O.
What is the InChIKey of 3-[4,6-dimethyl-2-(oxolan-2-yl)pyrimidin-5-yl]propanoic acid?
The InChIKey is AJWKQGRCTFUXCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-8-10(5-6-12(16)17)9(2)15-13(14-8)11-4-3-7-18-11/h11H,3-7H2,1-2H3,(H,16,17).
What are the key properties of 3-[4,6-dimethyl-2-(oxolan-2-yl)pyrimidin-5-yl]propanoic acid?
3-[4,6-dimethyl-2-(oxolan-2-yl)pyrimidin-5-yl]propanoic acid has a molecular weight of 250.30 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4,6-dimethyl-2-(oxolan-2-yl)pyrimidin-5-yl]propanoic acid is sourced from PubChem (CID 65328486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).