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

HCID 9826260
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Basic information

Standard SMILES
N#Cc1c(OCC(F)(F)F)nc(NCCN2CCOCC2)nc1N1CCc2ccccc2CC1
InChIKey
SNEYLUPOGNOXCE-UHFFFAOYSA-N
Molecular formula
C23H27F3N6O2
Average molar mass
476.5 g/mol
Monoisotopic mass
476.21475861

Names & identifiers

Preferred name
2-(2-Morpholin-4-ylethylamino)-4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-6-(2,2,2-trifluoroethoxy)pyrimidine-5-carbonitrile
IUPAC
2-(2-morpholin-4-ylethylamino)-4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-6-(2,2,2-trifluoroethoxy)pyrimidine-5-carbonitrile

Names & synonyms

SCHEMBL6949377SNEYLUPOGNOXCE-UHFFFAOYSA-N2-(2-morpholin-4-ylethylamino)-4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-6-(2,2,2-trifluoroethoxy)pyrimidine-5-carbonitrile

Database identifiers

PubChem CID
9826260

Properties

Computed structural properties

XLogP
3.8
Topological polar surface area
86.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
11
Rotatable bonds
7
Heavy atoms
34

Related reactions

1 records
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Linked notes

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