Basic information
- Standard SMILES
CC(C)(C)n1cc(C(=O)c2cncc(Br)c2)c2cncnc21- InChIKey
RTMHNXJAUWQXQD-UHFFFAOYSA-N- Molecular formula
- C16H15BrN4O
- Average molar mass
- 359.22 g/mol
Names & identifiers
- Preferred name
- (5-bromopyridin-3-yl)(7-tert-butyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)methanone
- IUPAC
- (5-bromo-3-pyridinyl)-(7-tert-butylpyrrolo[2,3-d]pyrimidin-5-yl)methanone
Names & synonyms
SCHEMBL12985392RTMHNXJAUWQXQD-UHFFFAOYSA-N(5-bromopyridin-3-yl)(7-tert-butyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)methanone
Database identifiers
- PubChem CID
- 70817656
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 60.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 425
Related reactions
1 records
Compound notes
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