
 CHEMBL3641729

 39 41  0  0  0  0  0  0  0  0999 V2000
    1.5188    0.1839   -1.0757 C   0  0  0  0  0
    0.3814    0.9494   -0.3870 C   0  0  0  0  0
   -0.8929    0.3229   -0.5925 O   0  0  0  0  0
   -0.9059   -1.0612   -0.1692 C   0  0  0  0  0
    0.2483   -1.8228   -0.8793 C   0  0  0  0  0
    1.5818   -1.2257   -0.6473 N   0  0  0  0  0
   -0.9979   -1.1876    1.3493 C   0  0  0  0  0
   -0.5229   -2.3042    2.0496 C   0  0  0  0  0
   -0.6847   -2.4082    3.4398 C   0  0  0  0  0
   -1.3310   -1.4095    4.1789 C   0  0  0  0  0
   -1.8272   -0.3117    3.4746 C   0  0  0  0  0
   -1.6682   -0.2020    2.0883 C   0  0  0  0  0
   -1.5324   -1.5987    5.5495 N   0  0  0  0  0
   -2.4001   -1.0022    6.4590 C   0  0  0  0  0
   -3.4058   -0.2151    6.0496 N   0  0  0  0  0
   -4.2259    0.2896    6.9931 C   0  0  0  0  0
   -4.0924    0.0578    8.3422 C   0  0  0  0  0
   -3.0342   -0.7605    8.6627 C   0  0  0  0  0
   -2.1906   -1.3028    7.7516 N   0  0  0  0  0
   -4.9979    0.6468    9.1624 O   0  0  0  0  0
   -4.8264    0.4633   10.5608 C   0  0  0  0  0
   -4.8873   -0.8564   10.8559 F   0  0  0  0  0
   -3.6083    0.9229   10.9317 F   0  0  0  0  0
    1.3796    0.2153   -2.1632 H   0  0  0  0  0
    2.4762    0.6689   -0.8586 H   0  0  0  0  0
    0.3160    1.9604   -0.8025 H   0  0  0  0  0
    0.5741    1.0531    0.6866 H   0  0  0  0  0
   -1.8471   -1.4751   -0.5538 H   0  0  0  0  0
    0.2728   -2.8781   -0.5924 H   0  0  0  0  0
    0.0621   -1.8095   -1.9615 H   0  0  0  0  0
    1.7601   -1.2406    0.3590 H   0  0  0  0  0
   -0.0387   -3.1304    1.5364 H   0  0  0  0  0
   -0.3211   -3.3036    3.9391 H   0  0  0  0  0
   -2.3444    0.4919    3.9909 H   0  0  0  0  0
   -2.0846    0.6708    1.5873 H   0  0  0  0  0
   -0.9088   -2.2286    6.0303 H   0  0  0  0  0
   -5.0281    0.9135    6.6086 H   0  0  0  0  0
   -2.7994   -1.0358    9.6863 H   0  0  0  0  0
   -5.6047    0.9992   11.1104 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 21  1  0  0  0
 21 23  1  0  0  0
 21 22  1  0  0  0
 21 39  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3641729

>  <PubChem CID>
68325483

>  <Formula>
C15H16F2N4O2

>  <Molecular Weight>
322.316000

>  <IUPAC Name>
5-(difluoromethoxy)-N-[4-[(2R)-morpholin-2-yl]phenyl]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)OC(F)F

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

>  <InChI Std. ID>
InChI=1S/C15H16F2N4O2/c16-14(17)23-12-7-19-15(20-8-12)21-11-3-1-10(2-4-11)13-9-18-5-6-22-13/h1-4,7-8,13-14,18H,5-6,9H2,(H,19,20,21)/t13-/m0/s1

>  <InChI Key>
DUCFIFULTZWOSS-ZDUSSCGKSA-N

