6-Chloro-N-(2-methylpropyl)-1,2-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-imine
Basic information
- CAS
6288-94-4- Standard SMILES
CC(C)CNc1nc(Cl)nc2[nH]ncc12- InChIKey
GSXKNONABCQDDT-UHFFFAOYSA-N- Molecular formula
- C9H12ClN5
- Average molar mass
- 225.68 g/mol
- Monoisotopic mass
- 225.0781231
Names & identifiers
- Preferred name
- 6-Chloro-N-(2-methylpropyl)-1,2-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-imine
- IUPAC
- 6-chloro-N-(2-methylpropyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine
Names & synonyms
6288-94-4NSC11598DTXSID50978629NSC-115986-Chloro-N-(2-methylpropyl)-1,2-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-imineAKOS020891348
Database identifiers
- CAS
6288-94-4- PubChem CID
- 223701
- DTXSID
DTXSID50978629
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 66.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 213
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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