(S)-1-(5-bromo-2-(methylthio)pyrimidin-4-yl)-2-(3,5-difluorophenyl)ethanamine hydrochloride

HCID 90280175
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Basic information

Standard SMILES
CSc1ncc(Br)c([C@@H](N)Cc2cc(F)cc(F)c2)n1.Cl
InChIKey
DOBDHJMXCSWRHG-MERQFXBCSA-N
Molecular formula
C13H13BrClF2N3S
Average molar mass
396.68 g/mol

Names & identifiers

Preferred name
(S)-1-(5-bromo-2-(methylthio)pyrimidin-4-yl)-2-(3,5-difluorophenyl)ethanamine hydrochloride
IUPAC
(1S)-1-(5-bromo-2-methylsulfanylpyrimidin-4-yl)-2-(3,5-difluorophenyl)ethanamine;hydrochloride

Names & synonyms

SCHEMBL15873892DOBDHJMXCSWRHG-MERQFXBCSA-N(S)-1-(5-bromo-2-(methylthio)pyrimidin-4-yl)-2-(3,5-difluorophenyl)ethanamine hydrochloride

Database identifiers

PubChem CID
90280175

Properties

Computed structural properties

Topological polar surface area
77.1 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
4
Heavy atoms
21

Related reactions

2 records
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Compound notes

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