tert-butyl 4-(7-bromo-5-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yloxy)piperidine-1-carboxylate
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Basic information
- Standard SMILES
Cn1cc(Br)c2ncnc(OC3CCN(C(=O)OC(C)(C)C)CC3)c21- InChIKey
YUSYMPMCCJCQDS-UHFFFAOYSA-N- Molecular formula
- C17H23BrN4O3
- Average molar mass
- 411.3 g/mol
Names & identifiers
- Preferred name
- tert-butyl 4-(7-bromo-5-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yloxy)piperidine-1-carboxylate
- IUPAC
- tert-butyl 4-(7-bromo-5-methylpyrrolo[3,2-d]pyrimidin-4-yl)oxypiperidine-1-carboxylate
Names & synonyms
SCHEMBL12505984YUSYMPMCCJCQDS-UHFFFAOYSA-Ntert-butyl 4-(7-bromo-5-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yloxy)piperidine-1-carboxylate
Database identifiers
- PubChem CID
- 68299293
Properties
Computed structural propertiesFilling in
- XLogP
- 2.8
- Topological polar surface area
- 69.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 479
Related reactions
2 records
Compound notes
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