4-(Ethylamino)-6-methyl-1-phenyl-1H-pyrazolo[3,4-D]pyrimidine
Basic information
- CAS
5346-47-4- Standard SMILES
CCNc1nc(C)nc2c1cnn2-c1ccccc1- InChIKey
GPHIDEADNNVRQO-UHFFFAOYSA-N- Molecular formula
- C14H15N5
- Average molar mass
- 253.3 g/mol
- Monoisotopic mass
- 253.1327455
Names & identifiers
- Preferred name
- 4-(Ethylamino)-6-methyl-1-phenyl-1H-pyrazolo[3,4-D]pyrimidine
- IUPAC
- N-ethyl-6-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
Names & synonyms
5346-47-4NSC16214-(ETHYLAMINO)-6-METHYL-1-PHENYL-1H-PYRAZOLO[3,4-D]PYRIMIDINEN-ethyl-6-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-aminen-ethyl-6-methyl-1-phenyl-1h-pyrazolo[3,4-d]pyrimidin-4-amineCHEMBL2282941DTXSID40968150NSC-1621
Database identifiers
- CAS
5346-47-4- PubChem CID
- 219841
- DTXSID
DTXSID40968150- ChEMBL
CHEMBL2282941
Properties
Computed structural properties
- XLogP
- 2.9
- 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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