Basic information
- Standard SMILES
CCOC(=O)c1cnc(C)nc1-c1ccccc1Br- InChIKey
KQUNJRBKUQPTPM-UHFFFAOYSA-N- Molecular formula
- C14H13BrN2O2
- Average molar mass
- 321.17 g/mol
Names & identifiers
- Preferred name
- Ethyl-2-methyl-4-(2-bromophenyl)-pyrimidine-5-carboxylate
- IUPAC
- ethyl 4-(2-bromophenyl)-2-methylpyrimidine-5-carboxylate
Names & synonyms
311340-73-5ETHYL-2-METHYL-4-(2-BROMOPHENYL)-PYRIMIDINE-5-CARBOXYLATEethyl 4-(2-bromophenyl)-2-methylpyrimidine-5-carboxylateSCHEMBL6016406ethyl 2-methyl-4-(2-bromophenyl)pyrimidine-5-carboxylateKQUNJRBKUQPTPM-UHFFFAOYSA-NDB-319384ethyl4-(2-bromophenyl)-2-methylpyrimidine-5-carboxylateEthyl -2-methyl -4-(2-bromophenyl )-pyrimidine-5-carboxylate4-(2-bromo-phenyl)-2-methyl-pyrimidine-5-carboxylic acid ethyl ester
Database identifiers
- PubChem CID
- 22831713
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 52.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 314
Related reactions
3 records
Compound notes
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