6-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
Basic information
- CAS
91843-66-2- Standard SMILES
Nc1nc(Cc2ccccc2)nc2[nH]ncc12- InChIKey
UXXFNNFSJWDIAH-UHFFFAOYSA-N- Molecular formula
- C12H11N5
- Average molar mass
- 225.25 g/mol
- Monoisotopic mass
- 225.10144537
Names & identifiers
- Preferred name
- 6-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
- IUPAC
- 6-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
Names & synonyms
91843-66-26-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-amineNSC405879DTXSID40324151NSC-405879
Database identifiers
- CAS
91843-66-2- PubChem CID
- 347287
- DTXSID
DTXSID40324151
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 80.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 253
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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