Basic information
- CAS
903203-68-9- Standard SMILES
CC(C)CNc1ncnc2c1cnn2Cc1ccccc1Cl- InChIKey
RAKUNOAGCOOLHT-UHFFFAOYSA-N- Molecular formula
- C16H18ClN5
- Average molar mass
- 315.8 g/mol
- Monoisotopic mass
- 315.1250733
Names & identifiers
- Preferred name
- 1-(2-chlorobenzyl)-N-(2-methylpropyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
- IUPAC
- 1-[(2-chlorophenyl)methyl]-N-(2-methylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine
Names & synonyms
1-(2-chlorobenzyl)-N-(2-methylpropyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine903203-68-9MLS001215848CHEMBL1552668DTXSID601321126HMS2853H07STK612876AKOS0051762491-[(2-chlorophenyl)methyl]-N-(2-methylpropyl)pyrazolo[3,4-d]pyrimidin-4-amineSMR000544802ST51063644Z1172235426
Show more names
1-(2-chlorobenzyl)-N-isobutyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine{1-[(2-chlorophenyl)methyl]pyrazolo[4,5-e]pyrimidin-4-yl}(2-methylpropyl)amine1-[(2-chlorophenyl)methyl]-N-(2-methylpropyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
Database identifiers
- CAS
903203-68-9- PubChem CID
- 8072452
- DTXSID
DTXSID601321126- ChEMBL
CHEMBL1552668
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
- 353
Experimental & physicochemical properties
Solubility36.5 [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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