Basic information
- Standard SMILES
CCCC(C(=O)OC)c1c(C)nc(Cl)nc1-c1ccccc1- InChIKey
HATBQTUBAIZZPZ-UHFFFAOYSA-N- Molecular formula
- C17H19ClN2O2
- Average molar mass
- 318.8 g/mol
Names & identifiers
- Preferred name
- Methyl 2-(2-chloro-4-methyl-6-phenylpyrimidin-5-yl)pentanoate
- IUPAC
- methyl 2-(2-chloro-4-methyl-6-phenylpyrimidin-5-yl)pentanoate
Names & synonyms
SCHEMBL1227685HATBQTUBAIZZPZ-UHFFFAOYSA-NMethyl 2-(2-chloro-4-methyl-6-phenylpyrimidin-5-yl)pentanoate
Database identifiers
- PubChem CID
- 86665646
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 52.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 361
Related reactions
3 records
Compound notes
Loading…