4-(4-Methylpiperazin-1-yl)-6-[2-(4,4,4-trifluoro-3-methylbutanoyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]pyrimidin-2-amine

HCID 49779587
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(CC(=O)N1CCc2ccc(-c3cc(N4CCN(C)CC4)nc(N)n3)cc2C1)C(F)(F)F
InChIKey
IKTJRZIBJIQZGD-UHFFFAOYSA-N
Molecular formula
C23H29F3N6O
Average molar mass
462.5 g/mol
Monoisotopic mass
462.23549406

Names & identifiers

Preferred name
4-(4-Methylpiperazin-1-yl)-6-[2-(4,4,4-trifluoro-3-methylbutanoyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]pyrimidin-2-amine
IUPAC
1-[7-[2-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinolin-2-yl]-4,4,4-trifluoro-3-methylbutan-1-one

Names & synonyms

4-(4-Methylpiperazin-1-yl)-6-[2-(4,4,4-trifluoro-3-methylbutanoyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]pyrimidin-2-amineSCHEMBL2806878

Database identifiers

PubChem CID
49779587

Properties

Computed structural properties

XLogP
3
Topological polar surface area
78.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
9
Rotatable bonds
4
Heavy atoms
33

Related reactions

2 records
New reaction record

Compound notes

Loading…