2-(3-{6-[2-(2,4-Dichloro-phenyl)-ethylamino]-2-methoxy-pyrimidin-4-yl}-phenyl)-2-methyl-propionic acid hydrochloride

HCID 69068876
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Basic information

Standard SMILES
COc1nc(NCCc2ccc(Cl)cc2Cl)cc(-c2cccc(C(C)(C)C(=O)O)c2)n1.Cl
InChIKey
XIFPOWZZZAKHFE-UHFFFAOYSA-N
Molecular formula
C23H24Cl3N3O3
Average molar mass
496.8 g/mol
Monoisotopic mass
495.088325

Names & identifiers

Preferred name
2-(3-{6-[2-(2,4-Dichloro-phenyl)-ethylamino]-2-methoxy-pyrimidin-4-yl}-phenyl)-2-methyl-propionic acid hydrochloride
IUPAC
2-[3-[6-[2-(2,4-dichlorophenyl)ethylamino]-2-methoxypyrimidin-4-yl]phenyl]-2-methylpropanoic acid;hydrochloride

Names & synonyms

SCHEMBL4501077XIFPOWZZZAKHFE-UHFFFAOYSA-N2-(3-{6-[2-(2,4-Dichloro-phenyl)-ethylamino]-2-methoxy-pyrimidin-4-yl}-phenyl)-2-methyl-propionic acid hydrochloride

Database identifiers

PubChem CID
69068876

Properties

Computed structural properties

Topological polar surface area
84.3 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
6
Rotatable bonds
8
Heavy atoms
32

Related reactions

2 records
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Compound notes

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