rac-5-Bromo-6-phenyl-4-(piperidin-3-yloxy)furo[2,3-d]pyrimidine

HCID 58280221

Notes Reactions

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Basic information

Standard SMILES: Brc1c(-c2ccccc2)oc2ncnc(OC3CCCNC3)c12
InChIKey: REZIBYJSFSWKFL-UHFFFAOYSA-N
Molecular formula: C17H16BrN3O2
Average molar mass: 374.2 g/mol
Monoisotopic mass: 373.04259

Names & identifiers

Preferred name: rac-5-Bromo-6-phenyl-4-(piperidin-3-yloxy)furo[2,3-d]pyrimidine
IUPAC: 5-bromo-6-phenyl-4-piperidin-3-yloxyfuro[2,3-d]pyrimidine

Names & synonyms

SCHEMBL1787658REZIBYJSFSWKFL-UHFFFAOYSA-Nrac-5-bromo-6-phenyl-4-(piperidin-3-yloxy)furo[2,3-d]-pyrimidinerac-5-Bromo-6-phenyl-4-(piperidin-3-yloxy)furo[2,3-d]pyrimidine

Database identifiers

PubChem CID: 58280221

Properties

Computed structural properties

XLogP: 3.7
Topological polar surface area: 60.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 3
Heavy atoms: 23
Formal charge: 0
Complexity: 394

Related reactions

2 records

New reaction record

HRID 2189055As productuspto-grants-2012_12

HRID 2189056As reactantuspto-grants-2012_12

Compound notes

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