
 CHEMBL3701993

 38 40  0  0  0  0  0  0  0  0999 V2000
    1.2954    0.7473   -0.5471 C   0  0  0  0  0
    0.2300    1.3926    0.3490 C   0  0  0  0  0
   -1.0734    0.8300    0.1396 O   0  0  0  0  0
   -1.0922   -0.6071    0.3043 C   0  0  0  0  0
   -0.0100   -1.2432   -0.6166 C   0  0  0  0  0
    1.3517   -0.7156   -0.3806 N   0  0  0  0  0
   -1.0727   -1.0111    1.7767 C   0  0  0  0  0
   -0.6043   -2.2595    2.1981 C   0  0  0  0  0
   -0.6329   -2.6269    3.5499 C   0  0  0  0  0
   -1.1429   -1.7766    4.5322 C   0  0  0  0  0
   -1.6337   -0.5344    4.1084 C   0  0  0  0  0
   -1.6126   -0.1633    2.7565 C   0  0  0  0  0
   -1.1889   -2.0979    5.8930 N   0  0  0  0  0
   -0.8206   -3.2258    6.6200 C   0  0  0  0  0
   -0.2531   -4.2917    6.0348 N   0  0  0  0  0
    0.0601   -5.3490    6.8085 C   0  0  0  0  0
   -0.1692   -5.3915    8.1590 C   0  0  0  0  0
   -0.7465   -4.2587    8.6782 C   0  0  0  0  0
   -1.0755   -3.1773    7.9388 N   0  0  0  0  0
    0.1713   -6.5657    8.9973 C   0  0  0  0  0
    1.0546   -6.2624    9.9866 F   0  0  0  0  0
   -0.9165   -7.0968    9.6179 F   0  0  0  0  0
    0.7350   -7.5876    8.2958 F   0  0  0  0  0
    1.0805    0.9730   -1.5987 H   0  0  0  0  0
    2.2779    1.1736   -0.3200 H   0  0  0  0  0
    0.1602    2.4615    0.1218 H   0  0  0  0  0
    0.5046    1.3042    1.4059 H   0  0  0  0  0
   -2.0688   -0.9333   -0.0763 H   0  0  0  0  0
    0.0097   -2.3334   -0.5287 H   0  0  0  0  0
   -0.2713   -1.0328   -1.6620 H   0  0  0  0  0
    1.6009   -0.9150    0.5909 H   0  0  0  0  0
   -0.2122   -2.9880    1.4944 H   0  0  0  0  0
   -0.2509   -3.6096    3.8050 H   0  0  0  0  0
   -2.0488    0.1657    4.8296 H   0  0  0  0  0
   -2.0232    0.8047    2.4740 H   0  0  0  0  0
   -1.6030   -1.4194    6.5139 H   0  0  0  0  0
    0.5142   -6.1816    6.2755 H   0  0  0  0  0
   -0.9759   -4.1728    9.7380 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  2  3  1  0  0  0
  2 26  1  0  0  0
  2 27  1  0  0  0
  3  4  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  4 28  1  0  0  0
  5  6  1  0  0  0
  5 29  1  0  0  0
  5 30  1  0  0  0
  6 31  1  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
  8 32  1  0  0  0
  9 10  2  0  0  0
  9 33  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>
CHEMBL3701993

>  <PubChem CID>
68325710

>  <Formula>
C15H15F3N4O

>  <Molecular Weight>
324.307000

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

>  <XlogP>
2.0

>  <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

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

>  <InChI Std. ID>
InChI=1S/C15H15F3N4O/c16-15(17,18)11-7-20-14(21-8-11)22-12-3-1-10(2-4-12)13-9-19-5-6-23-13/h1-4,7-8,13,19H,5-6,9H2,(H,20,21,22)/t13-/m0/s1

>  <InChI Key>
IZVLGWFAACSWFH-ZDUSSCGKSA-N

