4-Dimethylamino-1-phenyl-1H-pyrazolo[3,4-D]pyrimidine
Basic information
- CAS
5334-64-5- Standard SMILES
CN(C)c1ncnc2c1cnn2-c1ccccc1- InChIKey
KMBHLRYVIIOPHN-UHFFFAOYSA-N- Molecular formula
- C13H13N5
- Average molar mass
- 239.28 g/mol
- Monoisotopic mass
- 239.11709544
Names & identifiers
- Preferred name
- 4-Dimethylamino-1-phenyl-1H-pyrazolo[3,4-D]pyrimidine
- IUPAC
- N,N-dimethyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-amine
Names & synonyms
n,n-dimethyl-1-phenyl-1h-pyrazolo[3,4-d]pyrimidin-4-amineNSC14484-DIMETHYLAMINO-1-PHENYL-1H-PYRAZOLO[3,4-D]PYRIMIDINEDTXSID00967962HMS3535B04NSC-1448STK948985AKOS002337569ST51065925dimethyl(1-phenylpyrazolo[4,5-e]pyrimidin-4-yl)amine
Database identifiers
- CAS
5334-64-5- PubChem CID
- 219775
- DTXSID
DTXSID00967962
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 46.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 277
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Compound notes
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