6-Chloro-1-methyl-n-propyl-1h-pyrazolo[3,4-d]pyrimidin-4-amine
Basic information
- CAS
5444-34-8- Standard SMILES
CCCNc1nc(Cl)nc2c1cnn2C- InChIKey
QQFIPGOFWNNYIB-UHFFFAOYSA-N- Molecular formula
- C9H12ClN5
- Average molar mass
- 225.68 g/mol
- Monoisotopic mass
- 225.0781231
Names & identifiers
- Preferred name
- 6-Chloro-1-methyl-n-propyl-1h-pyrazolo[3,4-d]pyrimidin-4-amine
- IUPAC
- 6-chloro-1-methyl-N-propylpyrazolo[3,4-d]pyrimidin-4-amine
Names & synonyms
6-chloro-1-methyl-n-propyl-1h-pyrazolo[3,4-d]pyrimidin-4-amine5444-34-8NSC19092DTXSID50969577NSC-19092AKOS001855520
Database identifiers
- CAS
5444-34-8- PubChem CID
- 227490
- DTXSID
DTXSID50969577
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 55.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 215
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Compound notes
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