8-Benzyl-9H-purine-2,6-diamine
Basic information
- CAS
194613-27-9- Standard SMILES
Nc1nc(N)c2[nH]c(Cc3ccccc3)nc2n1- InChIKey
AFWYNOWVYKOMGZ-UHFFFAOYSA-N- Molecular formula
- C12H12N6
- Average molar mass
- 240.26 g/mol
- Monoisotopic mass
- 240.11234441
Names & identifiers
- Preferred name
- 8-Benzyl-9H-purine-2,6-diamine
- IUPAC
- 8-benzyl-7H-purine-2,6-diamine
Names & synonyms
8-Benzyl-9H-purine-2,6-diamineCHEMBL1023039H-Purine-2,6-diamine, 8-(phenylmethyl)-5JXK92TC6R194613-27-9SCHEMBL3923325SCHEMBL27648253BDBM500599418-(Phenylmethyl)-9H-purine-2,6-diamine
Database identifiers
- CAS
194613-27-9- PubChem CID
- 457735
- ChEMBL
CHEMBL102303- UNII
- 5JXK92TC6R
- Nikkaji
- J877.725J
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 280
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Compound notes
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