Basic information
- Standard SMILES
CC(C)(C)n1ccc2cnc(Cl)nc21- InChIKey
IQNYWAJVTZJHLI-UHFFFAOYSA-N- Molecular formula
- C10H12ClN3
- Average molar mass
- 209.67 g/mol
Names & identifiers
- Preferred name
- 7-tert-Butyl-2-chloro-7H-pyrrolo[2,3-d]pyrimidine
- IUPAC
- 7-tert-butyl-2-chloropyrrolo[2,3-d]pyrimidine
Names & synonyms
SCHEMBL12985132IQNYWAJVTZJHLI-UHFFFAOYSA-NDB-1082727-tert-Butyl-2-chloro-7H-pyrrolo[2,3-d]pyrimidine1402445-32-2
Database identifiers
- PubChem CID
- 86672093
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 30.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 214
Related reactions
1 records
Compound notes
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