2-(2-Hydroxyethylamino)-4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-6-(2,2,2-trifluoroethoxy)pyrimidine-5-carbonitrile

HCID 9822650
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Basic information

Standard SMILES
N#Cc1c(OCC(F)(F)F)nc(NCCO)nc1N1CCc2ccccc2CC1
InChIKey
BRJWSWOUTCHPTG-UHFFFAOYSA-N
Molecular formula
C19H20F3N5O2
Average molar mass
407.4 g/mol

Names & identifiers

Preferred name
2-(2-Hydroxyethylamino)-4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-6-(2,2,2-trifluoroethoxy)pyrimidine-5-carbonitrile
IUPAC
2-(2-hydroxyethylamino)-4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-6-(2,2,2-trifluoroethoxy)pyrimidine-5-carbonitrile

Names & synonyms

SCHEMBL6945704BRJWSWOUTCHPTG-UHFFFAOYSA-NL0203822-(2-hydroxyethylamino)-4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-6-(2,2,2-trifluoroethoxy)pyrimidine-5-carbonitrile

Database identifiers

PubChem CID
9822650

Properties

Computed structural properties

XLogP
3.4
Topological polar surface area
94.3 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
10
Rotatable bonds
6
Heavy atoms
29

Related reactions

1 records
New reaction record

Linked notes

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