
 US8802673, 134

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    0.4688    0.8991   -0.0142 C   0  0  0  0  0
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    0.4059   -1.8783   -0.4906 C   0  0  0  0  0
    1.7177   -1.2542   -0.2156 N   0  0  0  0  0
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   -0.4876   -2.3844    2.4004 C   0  0  0  0  0
   -0.6462   -2.4543    3.7873 C   0  0  0  0  0
   -1.2373   -1.4235    4.5286 C   0  0  0  0  0
   -1.6956   -0.3149    3.8167 C   0  0  0  0  0
   -1.5603   -0.2418    2.4239 C   0  0  0  0  0
   -1.3010   -1.5279    5.9234 N   0  0  0  0  0
   -1.4175   -0.5752    6.9268 C   0  0  0  0  0
   -1.4335    0.7384    6.6454 N   0  0  0  0  0
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   -1.6128    2.1742   10.1161 C   0  0  0  0  0
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    2.5846    0.6557   -0.4017 H   0  0  0  0  0
    0.3967    1.9044   -0.4418 H   0  0  0  0  0
    0.6239    1.0183    1.0639 H   0  0  0  0  0
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M  END

>  <Chemical Name>
US8802673, 134

>  <PubChem CID>
68325547

>  <Formula>
C15H14F4N4O

>  <Molecular Weight>
342.298000

>  <IUPAC Name>
N-(2-fluoro-4-morpholin-2-ylphenyl)-5-(trifluoromethyl)pyrimidin-2-amine

>  <XlogP>
2.1

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
9

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

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

>  <InChI Std. ID>
InChI=1S/C15H14F4N4O/c16-11-5-9(13-8-20-3-4-24-13)1-2-12(11)23-14-21-6-10(7-22-14)15(17,18)19/h1-2,5-7,13,20H,3-4,8H2,(H,21,22,23)

>  <InChI Key>
CMBJWMKALAVUQV-UHFFFAOYSA-N

