6-Bromo-2-(2-cyclopropyl-4-pyrimidinyl)-1h-imidazo[4,5-b]pyrazine

HCID 89853378

Notes Reactions

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Basic information

Standard SMILES: Brc1cnc2nc(-c3ccnc(C4CC4)n3)[nH]c2n1
InChIKey: XLFZPWLRWRKYGK-UHFFFAOYSA-N
Molecular formula: C12H9BrN6
Average molar mass: 317.14 g/mol

Names & identifiers

Preferred name: 6-Bromo-2-(2-cyclopropyl-4-pyrimidinyl)-1h-imidazo[4,5-b]pyrazine
IUPAC: 5-bromo-2-(2-cyclopropylpyrimidin-4-yl)-3H-imidazo[4,5-b]pyrazine

Names & synonyms

SCHEMBL15321560XLFZPWLRWRKYGK-UHFFFAOYSA-NDB-2074446-Bromo-2-(2-cyclopropyl-4-pyrimidinyl)-1h-imidazo[4,5-b]pyrazine6-bromo-2-(2-cyclopropylpyrimidin-4-yl)-1H-imidazo[4,5-b]pyrazine1469287-19-1

Database identifiers

PubChem CID: 89853378

Properties

Computed structural properties

XLogP: 1.6
Topological polar surface area: 80.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 2
Heavy atoms: 19
Formal charge: 0
Complexity: 338

Related reactions

2 records

New reaction record

HRID 931231As productuspto-grants-2016_03

HRID 931232As reactantuspto-grants-2016_03

Compound notes

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