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

HCID 72709367
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Basic information

Standard SMILES
O=c1cc(N2CC3CCC(C2)O3)nc2n1CC[C@@H](C(F)(F)F)N2C[C@@H](O)c1ccccc1
InChIKey
ZIOJSPKQRRONPB-HIEASXQVSA-N
Molecular formula
C22H25F3N4O3
Average molar mass
450.5 g/mol

Names & identifiers

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

Names & synonyms

(8S)-9-((S)-2-hydroxy-2-phenylethyl)-2-(8-oxa-3-azabicyclo[3.2.1]oct-3-yl)-8-trifluoromethyl-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-oneCHEMBL3909371SCHEMBL16859049BDBM226268US9321790, 80

Database identifiers

PubChem CID
72709367
ChEMBL
CHEMBL3909371

Properties

Computed structural properties

XLogP
2.2
Topological polar surface area
68.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
8
Rotatable bonds
4
Heavy atoms
32

Related reactions

1 records
New reaction record

Compound notes

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