4-Bromo-2,6-di-tert-butylpyrimidine
Basic information
- CAS
69543-99-3- Standard SMILES
CC(C)(C)c1cc(Br)nc(C(C)(C)C)n1- InChIKey
SFUXGPUBINQKOO-UHFFFAOYSA-N- Molecular formula
- C12H19BrN2
- Average molar mass
- 271.2 g/mol
- Monoisotopic mass
- 270.07316
Names & identifiers
- Preferred name
- 4-Bromo-2,6-di-tert-butylpyrimidine
- IUPAC
- 4-bromo-2,6-ditert-butylpyrimidine
Names & synonyms
69543-99-34-bromo-2,6-di-tert-butylpyrimidineSCHEMBL13807433DTXSID801259575DA-035004-Bromo-2,6-bis(1,1-dimethylethyl)pyrimidine
Database identifiers
- CAS
69543-99-3- PubChem CID
- 57733473
- DTXSID
DTXSID801259575
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 25.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 215
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Compound notes
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