914347-52-7 Purity
96%
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Specification
The molecular formula of 5-Bromo-2-(piperidin-3-yloxy)pyrimidine is C9H12BrN3O.
The molecular weight of 5-Bromo-2-(piperidin-3-yloxy)pyrimidine is 258.12 g/mol.
It was first created on 2010-03-29 and modified on 2023-12-30.
The IUPAC name of 5-Bromo-2-(piperidin-3-yloxy)pyrimidine is 5-bromo-2-piperidin-3-yloxypyrimidine.
The InChI of 5-Bromo-2-(piperidin-3-yloxy)pyrimidine is InChI=1S/C9H12BrN3O/c10-7-4-12-9(13-5-7)14-8-2-1-3-11-6-8/h4-5,8,11H,1-3,6H2.
The InChIKey of 5-Bromo-2-(piperidin-3-yloxy)pyrimidine is HBAYDUMSWQKSEP-UHFFFAOYSA-N.
The canonical SMILES of 5-Bromo-2-(piperidin-3-yloxy)pyrimidine is C1CC(CNC1)OC2=NC=C(C=N2)Br.
The XLogP3-AA value of 5-Bromo-2-(piperidin-3-yloxy)pyrimidine is 1.3.
5-Bromo-2-(piperidin-3-yloxy)pyrimidine has 1 hydrogen bond donor count.
Yes, the compound is canonicalized.