
 CHEMBL3641754

 38 40  0  0  0  0  0  0  0  0999 V2000
   -3.2677   -1.2389   -0.8615 C   0  0  0  0  0
   -3.5525   -2.2876    0.2209 C   0  0  0  0  0
   -2.4485   -3.1821    0.3940 O   0  0  0  0  0
   -1.2231   -2.4998    0.7347 C   0  0  0  0  0
   -0.9359   -1.4131   -0.3478 C   0  0  0  0  0
   -2.0482   -0.4612   -0.5801 N   0  0  0  0  0
   -1.2192   -2.0674    2.1990 C   0  0  0  0  0
   -1.4524   -2.9774    3.2468 C   0  0  0  0  0
   -1.4904   -2.5533    4.5880 C   0  0  0  0  0
   -1.2827   -1.2143    4.9385 C   0  0  0  0  0
   -0.9951   -0.3277    3.9021 C   0  0  0  0  0
   -0.9564   -0.7407    2.5660 C   0  0  0  0  0
   -1.3504   -0.8325    6.2833 N   0  0  0  0  0
   -1.2613    0.4044    6.9192 C   0  0  0  0  0
   -1.0107    1.5298    6.2323 N   0  0  0  0  0
   -0.9487    2.6903    6.9111 C   0  0  0  0  0
   -1.1292    2.7812    8.2655 C   0  0  0  0  0
   -1.3791    1.5847    8.8926 C   0  0  0  0  0
   -1.4496    0.3981    8.2487 N   0  0  0  0  0
   -1.0603    4.0685    8.9975 C   0  0  0  0  0
   -2.2145    4.3559    9.6578 F   0  0  0  0  0
   -0.0773    4.0828    9.9376 F   0  0  0  0  0
   -0.8181    5.1376    8.1896 F   0  0  0  0  0
   -1.6721   -4.6721    2.9673 Cl  0  0  0  0  0
   -3.1509   -1.7300   -1.8344 H   0  0  0  0  0
   -4.1173   -0.5526   -0.9434 H   0  0  0  0  0
   -4.4167   -2.8909   -0.0750 H   0  0  0  0  0
   -3.7983   -1.8150    1.1787 H   0  0  0  0  0
   -0.4205   -3.2425    0.6362 H   0  0  0  0  0
   -0.0239   -0.8538   -0.1114 H   0  0  0  0  0
   -0.7415   -1.9191   -1.3026 H   0  0  0  0  0
   -2.2139    0.0708    0.2739 H   0  0  0  0  0
   -1.6867   -3.2887    5.3653 H   0  0  0  0  0
   -0.7882    0.7198    4.0985 H   0  0  0  0  0
   -0.7086    0.0213    1.8326 H   0  0  0  0  0
   -1.5877   -1.5424    6.9611 H   0  0  0  0  0
   -0.7429    3.5638    6.2966 H   0  0  0  0  0
   -1.5385    1.5297    9.9674 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  2  3  1  0  0  0
  2 27  1  0  0  0
  2 28  1  0  0  0
  3  4  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  4 29  1  0  0  0
  5  6  1  0  0  0
  5 30  1  0  0  0
  5 31  1  0  0  0
  6 32  1  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
  8 24  1  0  0  0
  9 10  2  0  0  0
  9 33  1  0  0  0
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 20 21  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3641754

>  <PubChem CID>
68325731

>  <Formula>
C15H14ClF3N4O

>  <Molecular Weight>
358.749000

>  <IUPAC Name>
N-[3-chloro-4-[(2R)-morpholin-2-yl]phenyl]-5-(trifluoromethyl)pyrimidin-2-amine

>  <XlogP>
2.6

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
8

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

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

>  <InChI Std. ID>
InChI=1S/C15H14ClF3N4O/c16-12-5-10(1-2-11(12)13-8-20-3-4-24-13)23-14-21-6-9(7-22-14)15(17,18)19/h1-2,5-7,13,20H,3-4,8H2,(H,21,22,23)/t13-/m0/s1

>  <InChI Key>
ICCTXZZZLREYCW-ZDUSSCGKSA-N

