
 CHEMBL3342369

 49 51  0  0  0  0  0  0  0  0999 V2000
    5.6297    4.8467    7.1870 C   0  0  0  0  0
    6.1848    4.5930    5.8030 C   0  0  0  0  0
    6.0287    5.4759    4.9578 O   0  0  0  0  0
    6.8580    3.3736    5.6030 N   0  0  0  0  0
    7.1235    2.4620    6.7196 C   0  0  0  0  0
    7.3957    2.9959    4.3107 C   0  0  0  0  0
    6.9294    3.5561    3.1141 C   0  0  0  0  0
    7.4194    3.1454    1.8657 C   0  0  0  0  0
    8.3942    2.1491    1.7693 C   0  0  0  0  0
    8.8888    1.5955    2.9521 C   0  0  0  0  0
    8.3932    2.0096    4.1987 C   0  0  0  0  0
    8.8678    1.6668    0.4199 C   0  0  0  0  0
    9.6962    2.6452   -0.2623 N   0  0  0  0  0
   11.0261    2.8199    0.0835 C   0  0  0  0  0
   11.4770    4.0793   -0.0005 N   0  0  0  0  0
   12.7626    4.3071    0.2874 C   0  0  0  0  0
   13.6300    3.3578    0.6486 N   0  0  0  0  0
   13.1736    2.0884    0.7115 C   0  0  0  0  0
   11.8615    1.7800    0.4103 C   0  0  0  0  0
   14.1457    1.0477    1.1179 C   0  0  0  0  0
   15.4670    1.3506    1.4527 C   0  0  0  0  0
   16.3300    0.3265    1.8381 C   0  0  0  0  0
   15.8608   -0.9786    1.8808 C   0  0  0  0  0
   14.5421   -1.2072    1.5355 C   0  0  0  0  0
   13.6824   -0.2342    1.1620 N   0  0  0  0  0
   13.1810    5.6267    0.1705 N   0  0  0  0  0
   14.5544    5.7891   -0.2476 C   0  0  0  0  0
    6.4309    4.8397    7.9304 H   0  0  0  0  0
    4.8581    4.1107    7.4277 H   0  0  0  0  0
    5.1619    5.8366    7.2116 H   0  0  0  0  0
    6.4422    2.6115    7.5581 H   0  0  0  0  0
    8.1446    2.6283    7.0764 H   0  0  0  0  0
    6.9890    1.4227    6.4016 H   0  0  0  0  0
    6.1418    4.3033    3.1014 H   0  0  0  0  0
    7.0120    3.6050    0.9677 H   0  0  0  0  0
    9.6621    0.8304    2.9204 H   0  0  0  0  0
    8.8332    1.5454    5.0762 H   0  0  0  0  0
    7.9818    1.4813   -0.2005 H   0  0  0  0  0
    9.3559    0.6892    0.5029 H   0  0  0  0  0
    9.2803    3.5702   -0.3332 H   0  0  0  0  0
   11.5214    0.7547    0.4288 H   0  0  0  0  0
   15.8243    2.3759    1.4200 H   0  0  0  0  0
   17.3589    0.5515    2.1034 H   0  0  0  0  0
   16.5064   -1.7975    2.1765 H   0  0  0  0  0
   14.1255   -2.2100    1.5510 H   0  0  0  0  0
   12.4861    6.0872   -0.4074 H   0  0  0  0  0
   15.2519    5.4359    0.5202 H   0  0  0  0  0
   14.7597    6.8526   -0.4061 H   0  0  0  0  0
   14.7581    5.2674   -1.1895 H   0  0  0  0  0
  1  2  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  2  4  1  0  0  0
  2  3  2  0  0  0
  4  6  1  0  0  0
  4  5  1  0  0  0
  5 31  1  0  0  0
  5 32  1  0  0  0
  5 33  1  0  0  0
  6  7  2  0  0  0
  6 11  1  0  0  0
  7  8  1  0  0  0
  7 34  1  0  0  0
  8  9  2  0  0  0
  8 35  1  0  0  0
  9 10  1  0  0  0
  9 12  1  0  0  0
 10 11  2  0  0  0
 10 36  1  0  0  0
 11 37  1  0  0  0
 12 13  1  0  0  0
 12 38  1  0  0  0
 12 39  1  0  0  0
 13 14  1  0  0  0
 13 40  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 26  1  0  0  0
 17 18  1  0  0  0
 18 19  2  0  0  0
 18 20  1  0  0  0
 19 41  1  0  0  0
 20 21  2  0  0  0
 20 25  1  0  0  0
 21 22  1  0  0  0
 21 42  1  0  0  0
 22 23  2  0  0  0
 22 43  1  0  0  0
 23 24  1  0  0  0
 23 44  1  0  0  0
 24 25  2  0  0  0
 24 45  1  0  0  0
 26 27  1  0  0  0
 26 46  1  0  0  0
 27 47  1  0  0  0
 27 48  1  0  0  0
 27 49  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3342369

>  <PubChem CID>
118716412

>  <Formula>
C20H22N6O

>  <Molecular Weight>
362.437000

>  <IUPAC Name>
N-methyl-N-[4-[[[2-(methylamino)-6-pyridin-2-ylpyrimidin-4-yl]amino]methyl]phenyl]acetamide

>  <XlogP>
2.3

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC(=O)N(C)C1=CC=C(C=C1)CNC2=NC(=NC(=C2)C3=CC=CC=N3)NC

>  <Isomeric SMILES>
CC(=O)N(C)C1=CC=C(C=C1)CNC2=NC(=NC(=C2)C3=CC=CC=N3)NC

>  <InChI Std. ID>
InChI=1S/C20H22N6O/c1-14(27)26(3)16-9-7-15(8-10-16)13-23-19-12-18(24-20(21-2)25-19)17-6-4-5-11-22-17/h4-12H,13H2,1-3H3,(H2,21,23,24,25)

>  <InChI Key>
LVSFZOJQHNHAQO-UHFFFAOYSA-N

