
 CHEMBL3641723

 38 40  0  0  0  0  0  0  0  0999 V2000
    1.6372    0.2279   -0.5998 C   0  0  0  0  0
    0.4358    0.9381    0.0378 C   0  0  0  0  0
   -0.7960    0.2400   -0.1943 O   0  0  0  0  0
   -0.7451   -1.1377    0.2433 C   0  0  0  0  0
    0.4735   -1.8424   -0.4197 C   0  0  0  0  0
    1.7629   -1.1699   -0.1498 N   0  0  0  0  0
   -0.8790   -1.2577    1.7594 C   0  0  0  0  0
   -0.3957   -2.3667    2.4640 C   0  0  0  0  0
   -0.6024   -2.4934    3.8439 C   0  0  0  0  0
   -1.2928   -1.5226    4.5731 C   0  0  0  0  0
   -1.7828   -0.4166    3.8699 C   0  0  0  0  0
   -1.5925   -0.2925    2.4874 C   0  0  0  0  0
   -1.5908   -1.6536    5.9327 N   0  0  0  0  0
   -1.6754   -2.7649    6.7647 C   0  0  0  0  0
   -1.9674   -2.5143    8.0494 N   0  0  0  0  0
   -2.1040   -3.5711    8.8708 C   0  0  0  0  0
   -1.9743   -4.8744    8.4602 C   0  0  0  0  0
   -1.6815   -5.0593    7.1242 C   0  0  0  0  0
   -1.5271   -4.0063    6.2819 N   0  0  0  0  0
   -1.5321   -6.4592    6.5572 C   0  0  0  0  0
   -2.4293   -6.7357    5.5687 F   0  0  0  0  0
   -0.2986   -6.6907    6.0242 F   0  0  0  0  0
   -1.7119   -7.4390    7.4933 F   0  0  0  0  0
    1.5354    0.2373   -1.6918 H   0  0  0  0  0
    2.5580    0.7683   -0.3570 H   0  0  0  0  0
    0.3279    1.9366   -0.3982 H   0  0  0  0  0
    0.5874    1.0701    1.1147 H   0  0  0  0  0
   -1.6482   -1.6082   -0.1671 H   0  0  0  0  0
    0.5483   -2.8921   -0.1210 H   0  0  0  0  0
    0.3243   -1.8510   -1.5076 H   0  0  0  0  0
    1.9078   -1.1660    0.8622 H   0  0  0  0  0
    0.1334   -3.1737    1.9644 H   0  0  0  0  0
   -0.2031   -3.3753    4.3380 H   0  0  0  0  0
   -2.3532    0.3518    4.3860 H   0  0  0  0  0
   -2.0225    0.5676    1.9762 H   0  0  0  0  0
   -1.8664   -0.8228    6.4338 H   0  0  0  0  0
   -2.3346   -3.3277    9.9043 H   0  0  0  0  0
   -2.1000   -5.6997    9.1499 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 15  2  0  0  0
 14 19  1  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 38  1  0  0  0
 18 19  2  0  0  0
 18 20  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>
CHEMBL3641723

>  <PubChem CID>
68325548

>  <Formula>
C15H15F3N4O

>  <Molecular Weight>
324.307000

>  <IUPAC Name>
N-[4-[(2R)-morpholin-2-yl]phenyl]-4-(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=CC(=N3)C(F)(F)F

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

>  <InChI Std. ID>
InChI=1S/C15H15F3N4O/c16-15(17,18)13-5-6-20-14(22-13)21-11-3-1-10(2-4-11)12-9-19-7-8-23-12/h1-6,12,19H,7-9H2,(H,20,21,22)/t12-/m0/s1

>  <InChI Key>
AYHOVZAXGHFBJT-LBPRGKRZSA-N

