Basic information
- CAS
612524-00-2- Standard SMILES
CC(C)CNc1ncnc2c1cnn2Cc1ccc(Cl)cc1- InChIKey
OHGUBBOEMZYNSQ-UHFFFAOYSA-N- Molecular formula
- C16H18ClN5
- Average molar mass
- 315.8 g/mol
- Monoisotopic mass
- 315.1250733
Names & identifiers
- Preferred name
- 1-[(4-chlorophenyl)methyl]-N-(2-methylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine
- IUPAC
- 1-[(4-chlorophenyl)methyl]-N-(2-methylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine
- English name
- 1-[(4-chlorophenyl)methyl]-N-(2-methylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine
- Molecular formula
- C16H18ClN5
- Molecular weight
- 315.8
Names & synonyms
1-[(4-chlorophenyl)methyl]-N-(2-methylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine1-(4-chlorobenzyl)-N-(2-methylpropyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine1-(4-chlorobenzyl)-N-isobutyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine1-(4-CHLOROBENZYL)-N-ISOBUTYL-1H-PYRAZOLO(3,4-D)PYRIMIDIN-4-AMINE612524-00-2MLS000769612CHEMBL1548187DTXSID901321125HMS2779D15STL338602AKOS003062829SMR000434344
Show more names
1H-Pyrazolo[3,4-d]pyrimidin-4-amine, 1-[(4-chlorophenyl)methyl]-N-(2-methylpropyl)-
ST51226143[1-(4-Chloro-benzyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-isobutyl-amine1-[(4-Chlorophenyl)methyl]-N-(2-methylpropyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
Database identifiers
- CAS
612524-00-2- PubChem CID
- 930787
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 55.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 345
Experimental & physicochemical properties
Solubility45.1 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Boiling point
- 500.2 · 500.2±45.0 °C(Predicted)
- Density
- 1.3 · 1.30±0.1 g/cm3(Predicted)
- pka
- 3.7 · 3.70±0.10(Predicted)
Chemistry & industry
Suppliers2 total
Interbioscreen Ltd.[email protected]
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…