
 US8802673, 169

 38 40  0  0  0  0  0  0  0  0999 V2000
   -3.1935   -1.9416   -1.3050 C   0  0  0  0  0
   -1.9291   -2.6863   -0.8542 C   0  0  0  0  0
   -0.8007   -1.8135   -0.6960 O   0  0  0  0  0
   -1.0721   -0.6994    0.1825 C   0  0  0  0  0
   -2.3462    0.0471   -0.3109 C   0  0  0  0  0
   -3.5362   -0.8251   -0.4067 N   0  0  0  0  0
   -1.0434   -1.1140    1.6514 C   0  0  0  0  0
   -0.2478   -2.1882    2.0831 C   0  0  0  0  0
   -0.1886   -2.5489    3.4387 C   0  0  0  0  0
   -0.9001   -1.8375    4.4225 C   0  0  0  0  0
   -1.6681   -0.7558    3.9809 C   0  0  0  0  0
   -1.7353   -0.3951    2.6303 C   0  0  0  0  0
   -0.8100   -2.1987    5.7769 N   0  0  0  0  0
   -1.3085   -1.6365    6.9465 C   0  0  0  0  0
   -1.0213   -2.2814    8.0889 N   0  0  0  0  0
   -1.4919   -1.7517    9.2405 C   0  0  0  0  0
   -2.2375   -0.6004    9.3019 C   0  0  0  0  0
   -2.4781   -0.0099    8.0897 C   0  0  0  0  0
   -2.0294   -0.5049    6.9228 N   0  0  0  0  0
   -2.7580   -0.0173   10.5607 C   0  0  0  0  0
   -2.3114    1.2512   10.7700 F   0  0  0  0  0
   -4.1168    0.0619   10.5733 F   0  0  0  0  0
   -2.4142   -0.7232   11.6715 F   0  0  0  0  0
    0.7976   -3.9060    3.8740 Cl  0  0  0  0  0
   -3.0486   -1.5444   -2.3169 H   0  0  0  0  0
   -4.0367   -2.6388   -1.3505 H   0  0  0  0  0
   -1.6566   -3.4306   -1.6095 H   0  0  0  0  0
   -2.1082   -3.2258    0.0822 H   0  0  0  0  0
   -0.2270   -0.0106    0.0556 H   0  0  0  0  0
   -2.5847    0.9080    0.3206 H   0  0  0  0  0
   -2.1502    0.4568   -1.3103 H   0  0  0  0  0
   -3.7243   -1.2095    0.5215 H   0  0  0  0  0
    0.3332   -2.7539    1.3562 H   0  0  0  0  0
   -2.2411   -0.1520    4.6768 H   0  0  0  0  0
   -2.3398    0.4733    2.3821 H   0  0  0  0  0
   -0.2607   -3.0237    5.9830 H   0  0  0  0  0
   -1.2340   -2.3123   10.1365 H   0  0  0  0  0
   -3.0556    0.9077    8.0027 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 33  1  0  0  0
  9 10  2  0  0  0
  9 24  1  0  0  0
 10 11  1  0  0  0
 10 13  1  0  0  0
 11 12  2  0  0  0
 11 34  1  0  0  0
 12 35  1  0  0  0
 13 14  1  0  0  0
 13 36  1  0  0  0
 14 19  1  0  0  0
 14 15  2  0  0  0
 15 16  1  0  0  0
 16 17  2  0  0  0
 16 37  1  0  0  0
 17 18  1  0  0  0
 17 20  1  0  0  0
 18 19  2  0  0  0
 18 38  1  0  0  0
 20 23  1  0  0  0
 20 22  1  0  0  0
 20 21  1  0  0  0
M  END

>  <Chemical Name>
US8802673, 169

>  <PubChem CID>
68325644

>  <Formula>
C15H14ClF3N4O

>  <Molecular Weight>
358.749000

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

>  <XlogP>
2.6

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
8

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

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

>  <InChI Std. ID>
InChI=1S/C15H14ClF3N4O/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>
FQWDUIMJRSIUPC-UHFFFAOYSA-N

