
 US8802673, 145

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M  END

>  <Chemical Name>
US8802673, 145

>  <PubChem CID>
68325499

>  <Formula>
C16H16F4N4O2

>  <Molecular Weight>
372.324000

>  <IUPAC Name>
N-[2-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-5-(2,2,2-trifluoroethoxy)pyrimidin-2-amine

>  <XlogP>
2.3

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
10

>  <Canonical SMILES>
C1COC(CN1)C2=CC(=C(C=C2)NC3=NC=C(C=N3)OCC(F)(F)F)F

>  <Isomeric SMILES>
C1CO[C@H](CN1)C2=CC(=C(C=C2)NC3=NC=C(C=N3)OCC(F)(F)F)F

>  <InChI Std. ID>
InChI=1S/C16H16F4N4O2/c17-12-5-10(14-8-21-3-4-25-14)1-2-13(12)24-15-22-6-11(7-23-15)26-9-16(18,19)20/h1-2,5-7,14,21H,3-4,8-9H2,(H,22,23,24)/t14-/m1/s1

>  <InChI Key>
AEBUNQLWKMDXEE-CQSZACIVSA-N

