Basic information
- Standard SMILES
COC(=O)c1ccc(C)c(Nc2nccc(-c3ccccc3)n2)c1- InChIKey
ZDIKKEMYPISIPG-UHFFFAOYSA-N- Molecular formula
- C19H17N3O2
- Average molar mass
- 319.4 g/mol
Names & identifiers
- Preferred name
- Methyl 4-methyl-3-(4-phenylpyrimidin-2-ylamino)benzoate
- IUPAC
- methyl 4-methyl-3-[(4-phenylpyrimidin-2-yl)amino]benzoate
Names & synonyms
SCHEMBL2984112ZDIKKEMYPISIPG-UHFFFAOYSA-NMethyl 4-methyl-3-(4-phenylpyrimidin-2-ylamino)benzoate
Database identifiers
- PubChem CID
- 68466271
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 64.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 411
Related reactions
3 records
Compound notes
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