6-bromo-N2-(5,7-difluoroquinolin-6-ylmethyl)pyrazine-2,3-diamine

HCID 86652051

Notes Reactions

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Basic information

CAS: 1268261-18-2
Standard SMILES: Nc1ncc(Br)nc1NCc1c(F)cc2ncccc2c1F
InChIKey: UKECWSXAOULCSE-UHFFFAOYSA-N
Molecular formula: C14H10BrF2N5
Average molar mass: 366.16 g/mol
Monoisotopic mass: 365.00876386

Names & identifiers

Preferred name: 6-bromo-N2-(5,7-difluoroquinolin-6-ylmethyl)pyrazine-2,3-diamine
IUPAC: 5-bromo-3-N-[(5,7-difluoroquinolin-6-yl)methyl]pyrazine-2,3-diamine

Names & synonyms

SCHEMBL6522352UKECWSXAOULCSE-UHFFFAOYSA-NDTXSID2011638956-bromo-N2-(5,7-difluoroquinolin-6-ylmethyl)pyrazine-2,3-diamine5-Bromo-N~3~-[(5,7-difluoroquinolin-6-yl)methyl]pyrazine-2,3-diamine5-Bromo-N3-[(5,7-difluoro-6-quinolinyl)methyl]-2,3-pyrazinediamine1268261-18-2

Database identifiers

CAS: 1268261-18-2
PubChem CID: 86652051
DTXSID: DTXSID201163895

Properties

Computed structural properties

XLogP: 2.7
Topological polar surface area: 76.7 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 7
Rotatable bonds: 3
Heavy atoms: 22
Formal charge: 0
Complexity: 377

Related reactions

5 records

New reaction record

HRID 668300As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 1892426As productuspto-grants-2013_08

HRID 1892427As reactantuspto-grants-2013_08

HRID 1959759As productuspto-grants-2013_04

HRID 1959760As reactantuspto-grants-2013_04

Compound notes

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