Basic information
- CAS
5346-59-8- Standard SMILES
CCc1cccc(CC)c1Nc1nc(C)nc2c1cnn2C- InChIKey
OPNKUYKQDJOHHJ-UHFFFAOYSA-N- Molecular formula
- C17H21N5
- Average molar mass
- 295.4 g/mol
- Monoisotopic mass
- 295.17969569
Names & identifiers
- Preferred name
- N-(2,6-Diethylphenyl)-1,6-dimethyl-1H-pyrazolo(3,4-d)pyrimidin-4-amine
- IUPAC
- N-(2,6-diethylphenyl)-1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-amine
Names & synonyms
5346-59-8NSC 1641N-(2,6-Diethylphenyl)-1,6-dimethyl-1H-pyrazolo(3,4-d)pyrimidin-4-aminen-(2,6-diethylphenyl)-1,6-dimethyl-1h-pyrazolo[3,4-d]pyrimidin-4-amineNSC1641DTXSID40277315NSC-16414-(2,6-DIMETHYL-1H-PYRAZOLO[3,4-D]PYRIMIDINE
Database identifiers
- CAS
5346-59-8- PubChem CID
- 219861
- DTXSID
DTXSID40277315
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 55.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 351
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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