n-Benzyl-1,6-dimethyl-1h-pyrazolo[3,4-d]pyrimidin-4-amine
Basic information
- CAS
5394-43-4- Standard SMILES
Cc1nc(NCc2ccccc2)c2cnn(C)c2n1- InChIKey
YEIIAGMPMYBMBM-UHFFFAOYSA-N- Molecular formula
- C14H15N5
- Average molar mass
- 253.3 g/mol
- Monoisotopic mass
- 253.1327455
Names & identifiers
- Preferred name
- n-Benzyl-1,6-dimethyl-1h-pyrazolo[3,4-d]pyrimidin-4-amine
- IUPAC
- N-benzyl-1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-amine
Names & synonyms
5394-43-4n-benzyl-1,6-dimethyl-1h-pyrazolo[3,4-d]pyrimidin-4-amineNSC1421DTXSID20277272NSC-14214-(BENZYLAMINO)-1,4-D]PYRIMIDINE
Database identifiers
- CAS
5394-43-4- PubChem CID
- 219748
- DTXSID
DTXSID20277272
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 55.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 292
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Compound notes
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