Basic information
- CAS
7674-36-4- Standard SMILES
Nc1nc(N)c2ncn(Cc3ccccc3)c2n1- InChIKey
DRGHOMRXJSSSBT-UHFFFAOYSA-N- Molecular formula
- C12H12N6
- Average molar mass
- 240.26 g/mol
- Monoisotopic mass
- 240.11234438
Names & identifiers
- Preferred name
- 2,6-Diamino-9-benzylpurine
- IUPAC
- 9-benzylpurine-2,6-diamine
Names & synonyms
2,6-Diamino-9-benzylpurine7674-36-4DTXSID10286035RefChem:248146DTXCID302371859-benzyl-9h-purine-2,6-diamineNSC435342-amino-9-benzyladenineSCHEMBL1640041CHEMBL1969401DRGHOMRXJSSSBT-UHFFFAOYSA-NNSC-43534
Show more names
9H-Purine, 2,6-diamino-9-benzyl-NCI60_004010
Database identifiers
- CAS
7674-36-4- PubChem CID
- 238930
- DTXSID
DTXSID10286035- ChEMBL
CHEMBL1969401
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 95.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 280
Related reactions
3 records
Compound notes
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