Basic information
- Standard SMILES
N#Cc1ccc(N(Cc2ccc(F)c(Br)c2)c2cncnc2)cc1- InChIKey
BKKDEJYZLNNDRP-UHFFFAOYSA-N- Molecular formula
- C18H12BrFN4
- Average molar mass
- 383.2 g/mol
Names & identifiers
- Preferred name
- 5-[N-(3-bromo-4-fluorobenzyl)-N-(4cyanophenyl)amino]pyrimidine
- IUPAC
- 4-[(3-bromo-4-fluorophenyl)methyl-pyrimidin-5-ylamino]benzonitrile
Names & synonyms
SCHEMBL8327987BKKDEJYZLNNDRP-UHFFFAOYSA-N5-[N-(3-bromo-4-fluorobenzyl)-N-(4cyanophenyl)amino]pyrimidine
Database identifiers
- PubChem CID
- 10524005
- Nikkaji
- J864.557D
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 52.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 440
Related reactions
2 records
Compound notes
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