Basic information
- Standard SMILES
CCCC(C(=O)O)c1c(C)nc(-c2ccccc2)[nH]c1=O- InChIKey
JRHJKDRTSFFKCK-UHFFFAOYSA-N- Molecular formula
- C16H18N2O3
- Average molar mass
- 286.33 g/mol
Names & identifiers
- Preferred name
- 2-(4-Methyl-6-oxo-2-phenyl-1,6-dihydropyrimidin-5-yl)pentanoic acid
- IUPAC
- 2-(4-methyl-6-oxo-2-phenyl-1H-pyrimidin-5-yl)pentanoic acid
Names & synonyms
SCHEMBL1227915JRHJKDRTSFFKCK-UHFFFAOYSA-N2-(4-methyl-6-oxo-2-phenyl-1,6-dihydropyrimidin-5-yl)pentanoic acid
Database identifiers
- PubChem CID
- 136346170
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 78.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 488
Related reactions
2 records
Compound notes
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