N-(4-Bromophenyl)-7-methyl-7H-purin-6-amine
Basic information
- CAS
104997-53-7- Standard SMILES
Cn1cnc2ncnc(Nc3ccc(Br)cc3)c21- InChIKey
GHKMGDHYXSWVTI-UHFFFAOYSA-N- Molecular formula
- C12H10BrN5
- Average molar mass
- 304.15 g/mol
- Monoisotopic mass
- 303.01196
Names & identifiers
- Preferred name
- N-(4-Bromophenyl)-7-methyl-7H-purin-6-amine
- IUPAC
- N-(4-bromophenyl)-7-methylpurin-6-amine
Names & synonyms
NSC24125N-(4-Bromophenyl)-7-methyl-7H-purin-6-amineDTXSID301261141NSC-24125104997-53-7
Database identifiers
- CAS
104997-53-7- PubChem CID
- 229979
- DTXSID
DTXSID301261141
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 55.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 282
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Compound notes
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