Basic information
- Standard SMILES
Cc1cc(C)nc(OC(C(=O)O)C(C)(C)C)n1- InChIKey
QCXIQHJPLMWZRM-UHFFFAOYSA-N- Molecular formula
- C12H18N2O3
- Average molar mass
- 238.28 g/mol
- Monoisotopic mass
- 238.13174244
Names & identifiers
- Preferred name
- 2-(4,6-Dimethylpyrimidin-2-yl)oxy-3,3dimethylbutyric acid
- IUPAC
- 2-(4,6-dimethylpyrimidin-2-yl)oxy-3,3-dimethylbutanoic acid
Names & synonyms
SCHEMBL9367122QCXIQHJPLMWZRM-UHFFFAOYSA-N2-(4,6-dimethylpyrimidin-2-yl)oxy-3,3dimethylbutyric acid
Database identifiers
- PubChem CID
- 15070276
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 72.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 265
Related reactions
2 records
Compound notes
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