
 CHEMBL3641739

 42 45  0  0  0  0  0  0  0  0999 V2000
   -1.2616   -0.8607   -0.4169 C   0  0  0  0  0
   -1.1751    0.6020   -0.1024 C   0  0  0  0  0
   -1.1993   -0.4036    1.0245 C   0  0  0  0  0
    0.0378   -0.6960    1.8366 C   0  0  0  0  0
    0.4777   -1.9716    1.8808 N   0  0  0  0  0
    1.5599   -2.2677    2.6140 C   0  0  0  0  0
    2.2289   -1.3576    3.3363 N   0  0  0  0  0
    1.7867   -0.0900    3.2722 C   0  0  0  0  0
    0.6933    0.2960    2.5375 C   0  0  0  0  0
    2.0510   -3.5708    2.6858 N   0  0  0  0  0
    1.9426   -4.6561    1.8058 C   0  0  0  0  0
    2.4920   -5.8894    2.1855 C   0  0  0  0  0
    2.4092   -7.0162    1.3552 C   0  0  0  0  0
    1.7619   -6.9468    0.1177 C   0  0  0  0  0
    1.1706   -5.7266   -0.2415 C   0  0  0  0  0
    1.2514   -4.6072    0.5935 C   0  0  0  0  0
    1.6649   -8.1112   -0.8547 C   0  0  0  0  0
    2.4717   -9.4028   -0.5426 C   0  0  0  0  0
    1.8869  -10.2441    0.5209 N   0  0  0  0  0
    0.4691  -10.4849    0.2106 C   0  0  0  0  0
   -0.2990   -9.1811   -0.0460 C   0  0  0  0  0
    0.2840   -8.4344   -1.1227 O   0  0  0  0  0
   -2.2031   -1.2589   -0.7758 H   0  0  0  0  0
   -0.3891   -1.3449   -0.8420 H   0  0  0  0  0
   -2.0626    1.2055   -0.2600 H   0  0  0  0  0
   -0.2466    1.1098   -0.3383 H   0  0  0  0  0
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    2.3578    0.6310    3.8497 H   0  0  0  0  0
    0.3611    1.3255    2.5134 H   0  0  0  0  0
    2.8455   -3.5843    3.3071 H   0  0  0  0  0
    2.9943   -5.9891    3.1452 H   0  0  0  0  0
    2.8510   -7.9456    1.7053 H   0  0  0  0  0
    0.6327   -5.6407   -1.1846 H   0  0  0  0  0
    0.7738   -3.6928    0.2586 H   0  0  0  0  0
    2.0676   -7.7335   -1.8047 H   0  0  0  0  0
    3.5075   -9.1570   -0.2825 H   0  0  0  0  0
    2.5108  -10.0095   -1.4575 H   0  0  0  0  0
    2.3803  -11.1350    0.5543 H   0  0  0  0  0
    0.4050  -11.1249   -0.6778 H   0  0  0  0  0
    0.0070  -11.0254    1.0429 H   0  0  0  0  0
   -1.3293   -9.4151   -0.3346 H   0  0  0  0  0
   -0.3481   -8.5612    0.8568 H   0  0  0  0  0
  1  3  1  0  0  0
  1  2  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  2  3  1  0  0  0
  2 25  1  0  0  0
  2 26  1  0  0  0
  3  4  1  0  0  0
  3 27  1  0  0  0
  4  5  2  0  0  0
  4  9  1  0  0  0
  5  6  1  0  0  0
  6  7  2  0  0  0
  6 10  1  0  0  0
  7  8  1  0  0  0
  8  9  2  0  0  0
  8 28  1  0  0  0
  9 29  1  0  0  0
 10 11  1  0  0  0
 10 30  1  0  0  0
 11 12  2  0  0  0
 11 16  1  0  0  0
 12 13  1  0  0  0
 12 31  1  0  0  0
 13 14  2  0  0  0
 13 32  1  0  0  0
 14 15  1  0  0  0
 14 17  1  0  0  0
 15 16  2  0  0  0
 15 33  1  0  0  0
 16 34  1  0  0  0
 17 22  1  0  0  0
 17 18  1  0  0  0
 17 35  1  0  0  0
 18 19  1  0  0  0
 18 36  1  0  0  0
 18 37  1  0  0  0
 19 20  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
 21 22  1  0  0  0
 21 41  1  0  0  0
 21 42  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3641739

>  <PubChem CID>
68325621

>  <Formula>
C17H20N4O

>  <Molecular Weight>
296.374000

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

>  <XlogP>
1.7

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1CC1C2=NC(=NC=C2)NC3=CC=C(C=C3)C4CNCCO4

>  <Isomeric SMILES>
C1CC1C2=NC(=NC=C2)NC3=CC=C(C=C3)[C@@H]4CNCCO4

>  <InChI Std. ID>
InChI=1S/C17H20N4O/c1-2-12(1)15-7-8-19-17(21-15)20-14-5-3-13(4-6-14)16-11-18-9-10-22-16/h3-8,12,16,18H,1-2,9-11H2,(H,19,20,21)/t16-/m0/s1

>  <InChI Key>
CQHVTHQPTFJYEM-INIZCTEOSA-N

