
 CHEMBL3641733

 43 45  0  0  0  0  0  0  0  0999 V2000
    9.7203    5.1888   -0.0226 C   0  0  0  0  0
    8.6342    6.0873   -0.2402 O   0  0  0  0  0
    7.4097    5.4517   -0.2841 C   0  0  0  0  0
    6.3072    6.2471   -0.4058 C   0  0  0  0  0
    5.1160    5.5723   -0.4297 C   0  0  0  0  0
    5.0019    4.2341   -0.3390 N   0  0  0  0  0
    6.1441    3.5391   -0.2452 C   0  0  0  0  0
    7.3533    4.1144   -0.2112 N   0  0  0  0  0
    6.0192    2.1554   -0.1340 N   0  0  0  0  0
    6.9610    1.1268   -0.2664 C   0  0  0  0  0
    8.2133    1.3128   -0.8586 C   0  0  0  0  0
    9.1581    0.2835   -0.9169 C   0  0  0  0  0
    8.8875   -0.9722   -0.3678 C   0  0  0  0  0
    7.6389   -1.1601    0.2474 C   0  0  0  0  0
    6.6934   -0.1263    0.2957 C   0  0  0  0  0
    9.8794   -2.1252   -0.4038 C   0  0  0  0  0
   11.1504   -1.9704   -1.2891 C   0  0  0  0  0
   12.1863   -1.0860   -0.7175 N   0  0  0  0  0
   12.4728   -1.5182    0.6586 C   0  0  0  0  0
   11.2008   -1.6200    1.5120 C   0  0  0  0  0
   10.2457   -2.5219    0.9351 O   0  0  0  0  0
    3.9839    6.3580   -0.5482 O   0  0  0  0  0
    2.7768    5.6068   -0.6086 C   0  0  0  0  0
   10.6382    5.7817    0.0357 H   0  0  0  0  0
    9.8288    4.4898   -0.8593 H   0  0  0  0  0
    9.6105    4.6523    0.9269 H   0  0  0  0  0
    6.3704    7.3220   -0.4719 H   0  0  0  0  0
    5.0507    1.8885   -0.0574 H   0  0  0  0  0
    8.4767    2.2656   -1.3083 H   0  0  0  0  0
   10.1138    0.4990   -1.3888 H   0  0  0  0  0
    7.4040   -2.1165    0.7103 H   0  0  0  0  0
    5.7481   -0.3086    0.8027 H   0  0  0  0  0
    9.3274   -2.9773   -0.8231 H   0  0  0  0  0
   10.8810   -1.6117   -2.2886 H   0  0  0  0  0
   11.6007   -2.9632   -1.4189 H   0  0  0  0  0
   13.0355   -1.1530   -1.2780 H   0  0  0  0  0
   12.9699   -2.4953    0.6261 H   0  0  0  0  0
   13.1678   -0.8084    1.1193 H   0  0  0  0  0
   11.4587   -2.0120    2.5014 H   0  0  0  0  0
   10.7414   -0.6366    1.6630 H   0  0  0  0  0
    1.9484    6.3164   -0.6979 H   0  0  0  0  0
    2.6222    5.0285    0.3086 H   0  0  0  0  0
    2.7577    4.9590   -1.4917 H   0  0  0  0  0
  1  2  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  2  3  1  0  0  0
  3  8  1  0  0  0
  3  4  2  0  0  0
  4  5  1  0  0  0
  4 27  1  0  0  0
  5  6  2  0  0  0
  5 22  1  0  0  0
  6  7  1  0  0  0
  7  8  2  0  0  0
  7  9  1  0  0  0
  9 10  1  0  0  0
  9 28  1  0  0  0
 10 11  2  0  0  0
 10 15  1  0  0  0
 11 12  1  0  0  0
 11 29  1  0  0  0
 12 13  2  0  0  0
 12 30  1  0  0  0
 13 14  1  0  0  0
 13 16  1  0  0  0
 14 15  2  0  0  0
 14 31  1  0  0  0
 15 32  1  0  0  0
 16 21  1  0  0  0
 16 17  1  0  0  0
 16 33  1  0  0  0
 17 18  1  0  0  0
 17 34  1  0  0  0
 17 35  1  0  0  0
 18 19  1  0  0  0
 18 36  1  0  0  0
 19 20  1  0  0  0
 19 37  1  0  0  0
 19 38  1  0  0  0
 20 21  1  0  0  0
 20 39  1  0  0  0
 20 40  1  0  0  0
 22 23  1  0  0  0
 23 41  1  0  0  0
 23 42  1  0  0  0
 23 43  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3641733

>  <PubChem CID>
68325759

>  <Formula>
C16H20N4O3

>  <Molecular Weight>
316.361000

>  <IUPAC Name>
4,6-dimethoxy-N-[4-[(2R)-morpholin-2-yl]phenyl]pyrimidin-2-amine

>  <XlogP>
1.7

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
COC1=CC(=NC(=N1)NC2=CC=C(C=C2)C3CNCCO3)OC

>  <Isomeric SMILES>
COC1=CC(=NC(=N1)NC2=CC=C(C=C2)[C@@H]3CNCCO3)OC

>  <InChI Std. ID>
InChI=1S/C16H20N4O3/c1-21-14-9-15(22-2)20-16(19-14)18-12-5-3-11(4-6-12)13-10-17-7-8-23-13/h3-6,9,13,17H,7-8,10H2,1-2H3,(H,18,19,20)/t13-/m0/s1

>  <InChI Key>
BEDHMXIJNIYXFG-ZDUSSCGKSA-N

