Basic information
- Standard SMILES
Cc1nc(CC2CCN(c3ccc(Br)cn3)CC2)nc(C(=O)OC(C)(C)C)c1OCc1ccccc1- InChIKey
LZOABRQJUZUHIJ-UHFFFAOYSA-N- Molecular formula
- C28H33BrN4O3
- Average molar mass
- 553.5 g/mol
Names & identifiers
- Preferred name
- tert-Butyl 5-(benzyloxy)-2-{[1-(5-bromopyridin-2-yl)piperidin-4-yl]methyl}-6-methylpyrimidine-4-carboxylate
- IUPAC
- tert-butyl 2-[[1-(5-bromo-2-pyridinyl)piperidin-4-yl]methyl]-6-methyl-5-phenylmethoxypyrimidine-4-carboxylate
Names & synonyms
SCHEMBL1772751LZOABRQJUZUHIJ-UHFFFAOYSA-Ntert-Butyl 5-(benzyloxy)-2-{[1-(5-bromopyridin-2-yl)piperidin-4-yl]methyl}-6-methylpyrimidine-4-carboxylate
Database identifiers
- PubChem CID
- 58257552
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 77.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 691
Related reactions
1 records
Compound notes
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