6-Bromo-9-[(4-methoxyphenyl)methyl]purine
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Basic information
- Standard SMILES
COc1ccc(Cn2cnc3c(Br)ncnc32)cc1- InChIKey
HMIYQXDRELDMSL-UHFFFAOYSA-N- Molecular formula
- C13H11BrN4O
- Average molar mass
- 319.16 g/mol
Names & identifiers
- Preferred name
- 6-Bromo-9-[(4-methoxyphenyl)methyl]purine
- IUPAC
- 6-bromo-9-[(4-methoxyphenyl)methyl]purine
Names & synonyms
6-bromo-9-[(4-methoxyphenyl)methyl]purine1093101-53-1SCHEMBL3642511HMIYQXDRELDMSL-UHFFFAOYSA-N9-(4-methoxybenzyl)-6-bromo-9H-purine6-Bromo-9-(4-methoxybenzyl)-9H-purine
Database identifiers
- PubChem CID
- 59627384
Properties
Computed structural propertiesFilling in
- XLogP
- 3
- Topological polar surface area
- 52.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 298
Related reactions
5 records
Compound notes
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