
 CHEMBL3641742

 42 45  0  0  0  0  0  0  0  0999 V2000
   -2.9381    0.4759    4.4726 C   0  0  0  0  0
   -3.1215   -0.6038    3.4503 C   0  0  0  0  0
   -1.8780    0.2575    3.4174 C   0  0  0  0  0
   -0.5491   -0.3261    3.8042 C   0  0  0  0  0
    0.3341    0.2794    4.6782 C   0  0  0  0  0
    1.5272   -0.2330    5.0580 N   0  0  0  0  0
    1.8602   -1.4313    4.5564 C   0  0  0  0  0
    1.1024   -2.0868    3.6666 N   0  0  0  0  0
   -0.0675   -1.5207    3.3102 C   0  0  0  0  0
    3.0627   -1.9690    5.0119 N   0  0  0  0  0
    3.4899   -3.2994    5.1285 C   0  0  0  0  0
    4.8103   -3.5579    5.5110 C   0  0  0  0  0
    5.2944   -4.8674    5.6089 C   0  0  0  0  0
    4.4865   -5.9729    5.3384 C   0  0  0  0  0
    3.1792   -5.7078    4.9000 C   0  0  0  0  0
    2.6948   -4.3985    4.7965 C   0  0  0  0  0
    4.9675   -7.4139    5.4078 C   0  0  0  0  0
    6.2026   -7.7656    6.2825 C   0  0  0  0  0
    5.9343   -7.7096    7.7331 N   0  0  0  0  0
    4.7919   -8.5845    8.0323 C   0  0  0  0  0
    3.5728   -8.2458    7.1659 C   0  0  0  0  0
    3.8792   -8.3090    5.7631 O   0  0  0  0  0
    6.5832   -5.0178    5.9414 F   0  0  0  0  0
   -3.5619    1.3591    4.3929 H   0  0  0  0  0
   -2.7399    0.1691    5.4942 H   0  0  0  0  0
   -3.8640   -0.4514    2.6747 H   0  0  0  0  0
   -3.0513   -1.6313    3.7914 H   0  0  0  0  0
   -1.8413    0.9998    2.6214 H   0  0  0  0  0
    0.0926    1.2392    5.1282 H   0  0  0  0  0
   -0.6414   -2.0950    2.5877 H   0  0  0  0  0
    3.4942   -1.3107    5.6451 H   0  0  0  0  0
    5.4943   -2.7425    5.7271 H   0  0  0  0  0
    2.5136   -6.5286    4.6363 H   0  0  0  0  0
    1.6685   -4.2668    4.4663 H   0  0  0  0  0
    5.2305   -7.6792    4.3753 H   0  0  0  0  0
    7.0641   -7.1386    6.0415 H   0  0  0  0  0
    6.5054   -8.7943    6.0428 H   0  0  0  0  0
    6.7564   -8.0361    8.2387 H   0  0  0  0  0
    5.0852   -9.6268    7.8585 H   0  0  0  0  0
    4.5299   -8.4865    9.0906 H   0  0  0  0  0
    2.7764   -8.9727    7.3558 H   0  0  0  0  0
    3.1737   -7.2565    7.4172 H   0  0  0  0  0
  1  3  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
  3 28  1  0  0  0
  4  9  1  0  0  0
  4  5  2  0  0  0
  5  6  1  0  0  0
  5 29  1  0  0  0
  6  7  2  0  0  0
  7  8  1  0  0  0
  7 10  1  0  0  0
  8  9  2  0  0  0
  9 30  1  0  0  0
 10 11  1  0  0  0
 10 31  1  0  0  0
 11 12  2  0  0  0
 11 16  1  0  0  0
 12 13  1  0  0  0
 12 32  1  0  0  0
 13 14  2  0  0  0
 13 23  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>
CHEMBL3641742

>  <PubChem CID>
68325635

>  <Formula>
C17H19FN4O

>  <Molecular Weight>
314.364000

>  <IUPAC Name>
5-cyclopropyl-N-[3-fluoro-4-[(2R)-morpholin-2-yl]phenyl]pyrimidin-2-amine

>  <XlogP>
2.1

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C1CC1C2=CN=C(N=C2)NC3=CC(=C(C=C3)C4CNCCO4)F

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

>  <InChI Std. ID>
InChI=1S/C17H19FN4O/c18-15-7-13(3-4-14(15)16-10-19-5-6-23-16)22-17-20-8-12(9-21-17)11-1-2-11/h3-4,7-9,11,16,19H,1-2,5-6,10H2,(H,20,21,22)/t16-/m0/s1

>  <InChI Key>
KMOOSEYITTVKFL-INIZCTEOSA-N

