Basic information
- CAS
612524-09-1- Standard SMILES
CCN(CC)c1ncnc2c1cnn2Cc1ccc(C)cc1- InChIKey
ZDSKCBKVXGAOEE-UHFFFAOYSA-N- Molecular formula
- C17H21N5
- Average molar mass
- 295.4 g/mol
- Monoisotopic mass
- 295.17969569
Names & identifiers
- Preferred name
- N,N-diethyl-1-[(4-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
- IUPAC
- N,N-diethyl-1-[(4-methylphenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-amine
Names & synonyms
612524-09-1N,N-diethyl-1-[(4-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amineN,N-diethyl-1-(4-methylbenzyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amineN,N-DIETHYL-1-(4-METHYLBENZYL)-1H-PYRAZOLO(3,4-D)PYRIMIDIN-4-AMINEMLS001165126CHEMBL1447899DTXSID101323527HMS2858F04STL338506AKOS003062937SMR000540332ST51226144
Show more names
SR-01000269285SR-01000269285-1N,N-diethyl-1-[(4-methylphenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-amineN,N-Diethyl-1-[(4-methylphenyl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine
Database identifiers
- CAS
612524-09-1- PubChem CID
- 930586
- DTXSID
DTXSID101323527- ChEMBL
CHEMBL1447899- EC Number
- 124-633-8
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 46.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 338
Experimental & physicochemical properties
Solubility31.7 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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