tert-butyl 6-amino-4-chloro-1H-pyrazolo[3,4-d]pyrimidine-1-carboxylate

HCID 22015553
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Basic information

Standard SMILES
CC(C)(C)OC(=O)n1ncc2c(Cl)nc(N)nc21
InChIKey
LOVRIJHKKBRULX-UHFFFAOYSA-N
Molecular formula
C10H12ClN5O2
Average molar mass
269.69 g/mol

Names & identifiers

Preferred name
tert-butyl 6-amino-4-chloro-1H-pyrazolo[3,4-d]pyrimidine-1-carboxylate
IUPAC
tert-butyl 6-amino-4-chloropyrazolo[5,4-d]pyrimidine-1-carboxylate

Names & synonyms

SCHEMBL4455752LOVRIJHKKBRULX-UHFFFAOYSA-Ntert-butyl 6-amino-4-chloro-1H-pyrazolo[3,4-d]pyrimidine-1-carboxylate

Database identifiers

PubChem CID
22015553

Properties

Computed structural properties

XLogP
2.1
Topological polar surface area
95.9 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
2
Heavy atoms
18

Related reactions

3 records
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Compound notes

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