(8S)-2-(8-oxa-3-azabicyclo[3.2.1]oct-3-yl)-9-(2-oxo-2-pyrid-4-ylethyl)-8-trifluoromethyl-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one

HCID 72709293
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C(CN1c2nc(N3CC4CCC(C3)O4)cc(=O)n2CC[C@H]1C(F)(F)F)c1ccncc1
InChIKey
KWNARWSFHQVMBU-DQPZFDDXSA-N
Molecular formula
C21H22F3N5O3
Average molar mass
449.4 g/mol

Names & identifiers

Preferred name
(8S)-2-(8-oxa-3-azabicyclo[3.2.1]oct-3-yl)-9-(2-oxo-2-pyrid-4-ylethyl)-8-trifluoromethyl-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one
IUPAC
(8S)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-9-(2-oxo-2-pyridin-4-ylethyl)-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one

Names & synonyms

(8S)-2-(8-oxa-3-azabicyclo[3.2.1]oct-3-yl)-9-(2-oxo-2-pyrid-4-ylethyl)-8-trifluoromethyl-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-oneCHEMBL3977615SCHEMBL16858975BDBM226263US9321790, 75

Database identifiers

PubChem CID
72709293
ChEMBL
CHEMBL3977615

Properties

Computed structural properties

XLogP
1.7
Topological polar surface area
78.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
9
Rotatable bonds
4
Heavy atoms
32

Related reactions

1 records
New reaction record

Compound notes

Loading…