
 US8802673, 167

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M  END

>  <Chemical Name>
US8802673, 167

>  <PubChem CID>
68325452

>  <Formula>
C16H17F3N4O

>  <Molecular Weight>
338.334000

>  <IUPAC Name>
N-[2-methyl-4-[(2S)-morpholin-2-yl]phenyl]-5-(trifluoromethyl)pyrimidin-2-amine

>  <XlogP>
2.4

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
CC1=C(C=CC(=C1)C2CNCCO2)NC3=NC=C(C=N3)C(F)(F)F

>  <Isomeric SMILES>
CC1=C(C=CC(=C1)[C@H]2CNCCO2)NC3=NC=C(C=N3)C(F)(F)F

>  <InChI Std. ID>
InChI=1S/C16H17F3N4O/c1-10-6-11(14-9-20-4-5-24-14)2-3-13(10)23-15-21-7-12(8-22-15)16(17,18)19/h2-3,6-8,14,20H,4-5,9H2,1H3,(H,21,22,23)/t14-/m1/s1

>  <InChI Key>
GKWCGXQJLPLVMD-CQSZACIVSA-N

