
 CHEMBL3342377

 46 48  0  0  0  0  0  0  0  0999 V2000
    2.1423    1.8506   -3.9728 C   0  0  0  0  0
    3.6196    1.8715   -3.6704 C   0  0  0  0  0
    4.4336    2.1573   -4.5404 O   0  0  0  0  0
    3.8814    1.5806   -2.3421 N   0  0  0  0  0
    5.1445    1.5267   -1.7166 C   0  0  0  0  0
    6.3532    1.5944   -2.4077 C   0  0  0  0  0
    7.5685    1.5767   -1.7159 C   0  0  0  0  0
    7.5995    1.5085   -0.3155 C   0  0  0  0  0
    6.3866    1.4086    0.3749 C   0  0  0  0  0
    5.1715    1.4050   -0.3216 C   0  0  0  0  0
    8.9195    1.6013    0.4226 C   0  0  0  0  0
    9.4293    2.9583    0.2754 N   0  0  0  0  0
   10.7247    3.1839    0.7660 C   0  0  0  0  0
   11.3445    2.2662    1.5205 N   0  0  0  0  0
   12.5617    2.5641    1.9908 C   0  0  0  0  0
   13.2009    3.7155    1.7571 N   0  0  0  0  0
   12.5563    4.6474    1.0228 C   0  0  0  0  0
   11.2962    4.4118    0.5131 C   0  0  0  0  0
   13.2536    5.9341    0.8075 C   0  0  0  0  0
   14.6298    6.0779    0.9912 C   0  0  0  0  0
   15.2229    7.3218    0.7821 C   0  0  0  0  0
   14.4325    8.3978    0.4023 C   0  0  0  0  0
   13.0770    8.1823    0.2360 C   0  0  0  0  0
   12.4775    6.9856    0.4200 N   0  0  0  0  0
   13.1523    1.5878    2.7853 N   0  0  0  0  0
   13.9423    2.1166    3.8759 C   0  0  0  0  0
    1.6805    0.9498   -3.5591 H   0  0  0  0  0
    1.9920    1.8471   -5.0563 H   0  0  0  0  0
    1.6687    2.7399   -3.5483 H   0  0  0  0  0
    3.0802    1.4702   -1.7339 H   0  0  0  0  0
    6.3884    1.6662   -3.4902 H   0  0  0  0  0
    8.4945    1.6422   -2.2835 H   0  0  0  0  0
    6.3766    1.3551    1.4615 H   0  0  0  0  0
    4.2490    1.3384    0.2494 H   0  0  0  0  0
    9.6081    0.8588   -0.0006 H   0  0  0  0  0
    8.7736    1.3619    1.4832 H   0  0  0  0  0
    9.3662    3.2815   -0.6853 H   0  0  0  0  0
   10.7750    5.1655   -0.0642 H   0  0  0  0  0
   15.2381    5.2288    1.2898 H   0  0  0  0  0
   16.2933    7.4465    0.9184 H   0  0  0  0  0
   14.8613    9.3801    0.2401 H   0  0  0  0  0
   12.4135    8.9912   -0.0571 H   0  0  0  0  0
   12.3947    0.9725    3.0625 H   0  0  0  0  0
   14.8362    2.6353    3.5122 H   0  0  0  0  0
   14.2823    1.2894    4.5070 H   0  0  0  0  0
   13.3594    2.7969    4.5073 H   0  0  0  0  0
  1  2  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  2  4  1  0  0  0
  2  3  2  0  0  0
  4  5  1  0  0  0
  4 30  1  0  0  0
  5  6  2  0  0  0
  5 10  1  0  0  0
  6  7  1  0  0  0
  6 31  1  0  0  0
  7  8  2  0  0  0
  7 32  1  0  0  0
  8  9  1  0  0  0
  8 11  1  0  0  0
  9 10  2  0  0  0
  9 33  1  0  0  0
 10 34  1  0  0  0
 11 12  1  0  0  0
 11 35  1  0  0  0
 11 36  1  0  0  0
 12 13  1  0  0  0
 12 37  1  0  0  0
 13 18  1  0  0  0
 13 14  2  0  0  0
 14 15  1  0  0  0
 15 16  2  0  0  0
 15 25  1  0  0  0
 16 17  1  0  0  0
 17 18  2  0  0  0
 17 19  1  0  0  0
 18 38  1  0  0  0
 19 20  2  0  0  0
 19 24  1  0  0  0
 20 21  1  0  0  0
 20 39  1  0  0  0
 21 22  2  0  0  0
 21 40  1  0  0  0
 22 23  1  0  0  0
 22 41  1  0  0  0
 23 24  2  0  0  0
 23 42  1  0  0  0
 25 26  1  0  0  0
 25 43  1  0  0  0
 26 44  1  0  0  0
 26 45  1  0  0  0
 26 46  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3342377

>  <PubChem CID>
118716418

>  <Formula>
C19H20N6O

>  <Molecular Weight>
348.410000

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

>  <XlogP>
2.1

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC(=O)NC1=CC=C(C=C1)CNC2=NC(=NC(=C2)C3=CC=CC=N3)NC

>  <Isomeric SMILES>
CC(=O)NC1=CC=C(C=C1)CNC2=NC(=NC(=C2)C3=CC=CC=N3)NC

>  <InChI Std. ID>
InChI=1S/C19H20N6O/c1-13(26)23-15-8-6-14(7-9-15)12-22-18-11-17(24-19(20-2)25-18)16-5-3-4-10-21-16/h3-11H,12H2,1-2H3,(H,23,26)(H2,20,22,24,25)

>  <InChI Key>
GORJAELYTTWWQJ-UHFFFAOYSA-N

