Basic information
- Standard SMILES
COc1ccc(-c2cc(-c3ccc(OC)cc3)nc(CBr)n2)cc1- InChIKey
MCKDXFGDSRPEFO-UHFFFAOYSA-N- Molecular formula
- C19H17BrN2O2
- Average molar mass
- 385.3 g/mol
- Monoisotopic mass
- 384.04734
Names & identifiers
- Preferred name
- 2-Bromomethyl-4,6-bis-(4-methoxy-phenyl)-pyrimidine
- IUPAC
- 2-(bromomethyl)-4,6-bis(4-methoxyphenyl)pyrimidine
Names & synonyms
SCHEMBL3244167MCKDXFGDSRPEFO-UHFFFAOYSA-N2-bromomethyl-4,6-bis-(4-methoxy-phenyl)-pyrimidine
Database identifiers
- PubChem CID
- 59007646
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 44.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 336
Related reactions
4 records
Compound notes
Loading…