6-Chloro-1-methyl-n-(2,4,4-trimethylpentan-2-yl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine
Basic information
- CAS
6283-16-5- Standard SMILES
Cn1ncc2c(NC(C)(C)CC(C)(C)C)nc(Cl)nc21- InChIKey
MYZXSPBZLBCCGV-UHFFFAOYSA-N- Molecular formula
- C14H22ClN5
- Average molar mass
- 295.81 g/mol
- Monoisotopic mass
- 295.1563734
Names & identifiers
- Preferred name
- 6-Chloro-1-methyl-n-(2,4,4-trimethylpentan-2-yl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine
- IUPAC
- 6-chloro-1-methyl-N-(2,4,4-trimethylpentan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine
Names & synonyms
6283-16-5NSC78686-chloro-1-methyl-n-(2,4,4-trimethylpentan-2-yl)-1h-pyrazolo[3,4-d]pyrimidin-4-amineDTXSID30278518NSC-7868
Database identifiers
- CAS
6283-16-5- PubChem CID
- 222249
- DTXSID
DTXSID30278518
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 55.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 341
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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