Basic information
- Standard SMILES
CCCC(C(=O)OC)c1c(C)nc(-c2ccccc2)nc1-c1ccc(Cl)cc1OC- InChIKey
IFCNKHPWSSKXTG-UHFFFAOYSA-N- Molecular formula
- C24H25ClN2O3
- Average molar mass
- 424.9 g/mol
- Monoisotopic mass
- 424.1553704
Names & identifiers
- Preferred name
- Methyl 2-(4-(4-chloro-2-methoxyphenyl)-6-methyl-2-phenylpyrimidin-5-yl)pentanoate
- IUPAC
- methyl 2-[4-(4-chloro-2-methoxyphenyl)-6-methyl-2-phenylpyrimidin-5-yl]pentanoate
Names & synonyms
SCHEMBL1226561IFCNKHPWSSKXTG-UHFFFAOYSA-NMethyl 2-(4-(4-chloro-2-methoxyphenyl)-6-methyl-2-phenylpyrimidin-5-yl)pentanoate
Database identifiers
- PubChem CID
- 66955360
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 61.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 543
Related reactions
4 records
Compound notes
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