Basic information
- CAS
2357-25-7- Standard SMILES
Nc1nc(F)nc2c1ncn2Cc1ccccc1- InChIKey
BGMJQNHBBPAADW-UHFFFAOYSA-N- Molecular formula
- C12H10FN5
- Average molar mass
- 243.24 g/mol
- Monoisotopic mass
- 243.0920235
Names & identifiers
- Preferred name
- 9-Benzyl-2-fluoro-9h-purin-6-amine
- IUPAC
- 9-benzyl-2-fluoropurin-6-amine
Names & synonyms
9-benzyl-2-fluoro-9h-purin-6-amine2357-25-7DTXSID60282406RefChem:312999DTXCID60233559NSC257529-benzyl-2-fluoroadenine9H-Purin-6-amine,2-fluoro-9-(phenylmethyl)-Adenine, 9-benzyl-2-fluoro-NSC-25752DS-009413
Database identifiers
- CAS
2357-25-7- PubChem CID
- 230656
- DTXSID
DTXSID60282406- Nikkaji
- J1.140.736F
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 69.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 284
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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