
 CHEMBL3342368

 38 40  0  0  0  0  0  0  0  0999 V2000
    1.1555   -0.1705   -0.2139 C   0  0  0  0  0
    2.5625   -0.0004   -0.4935 N   0  0  0  0  0
    3.0274    1.3031   -0.3923 C   0  0  0  0  0
    2.2275    2.3326   -0.6822 N   0  0  0  0  0
    2.7429    3.5774   -0.5750 C   0  0  0  0  0
    4.0564    3.7792   -0.1916 C   0  0  0  0  0
    4.8134    2.6626    0.0855 C   0  0  0  0  0
    4.2957    1.4287    0.0042 N   0  0  0  0  0
    6.1391    2.8444    0.5238 N   0  0  0  0  0
    6.8697    1.6018    0.7328 C   0  0  0  0  0
    8.2986    1.9206    1.0984 C   0  0  0  0  0
    9.3023    1.9291    0.1251 C   0  0  0  0  0
   10.5994    2.2274    0.5118 C   0  0  0  0  0
   10.9574    2.5204    1.7798 N   0  0  0  0  0
    9.9714    2.5225    2.7021 C   0  0  0  0  0
    8.6454    2.2388    2.4147 C   0  0  0  0  0
    1.8252    4.7033   -0.8711 C   0  0  0  0  0
    0.4829    4.5004   -1.2055 C   0  0  0  0  0
   -0.3397    5.5978   -1.4538 C   0  0  0  0  0
    0.1903    6.8764   -1.3670 C   0  0  0  0  0
    1.5276    7.0045   -1.0367 C   0  0  0  0  0
    2.3479    5.9581   -0.7892 N   0  0  0  0  0
    0.9124   -1.2380   -0.2365 H   0  0  0  0  0
    0.5330    0.3200   -0.9697 H   0  0  0  0  0
    0.8908    0.2099    0.7784 H   0  0  0  0  0
    3.1927   -0.5679    0.0625 H   0  0  0  0  0
    4.4684    4.7755   -0.0938 H   0  0  0  0  0
    6.6266    3.4721   -0.1096 H   0  0  0  0  0
    6.8632    0.9758   -0.1693 H   0  0  0  0  0
    6.4197    1.0157    1.5449 H   0  0  0  0  0
    9.0847    1.7026   -0.9135 H   0  0  0  0  0
   11.4100    2.2383   -0.2116 H   0  0  0  0  0
   10.2838    2.7675    3.7129 H   0  0  0  0  0
    7.8980    2.2657    3.2010 H   0  0  0  0  0
    0.0754    3.4957   -1.2697 H   0  0  0  0  0
   -1.3848    5.4496   -1.7100 H   0  0  0  0  0
   -0.4226    7.7516   -1.5520 H   0  0  0  0  0
    1.9904    7.9840   -0.9574 H   0  0  0  0  0
  1  2  1  0  0  0
  1 23  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
  3  8  1  0  0  0
  3  4  2  0  0  0
  4  5  1  0  0  0
  5  6  2  0  0  0
  5 17  1  0  0  0
  6  7  1  0  0  0
  6 27  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  1  0  0  0
 10 29  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
 15 16  2  0  0  0
 15 33  1  0  0  0
 16 34  1  0  0  0
 17 18  2  0  0  0
 17 22  1  0  0  0
 18 19  1  0  0  0
 18 35  1  0  0  0
 19 20  2  0  0  0
 19 36  1  0  0  0
 20 21  1  0  0  0
 20 37  1  0  0  0
 21 22  2  0  0  0
 21 38  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3342368

>  <PubChem CID>
118716411

>  <Formula>
C16H16N6

>  <Molecular Weight>
292.346000

>  <IUPAC Name>
2-N-methyl-6-pyridin-2-yl-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine

>  <XlogP>
1.9

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CNC1=NC(=CC(=N1)NCC2=CC=NC=C2)C3=CC=CC=N3

>  <Isomeric SMILES>
CNC1=NC(=CC(=N1)NCC2=CC=NC=C2)C3=CC=CC=N3

>  <InChI Std. ID>
InChI=1S/C16H16N6/c1-17-16-21-14(13-4-2-3-7-19-13)10-15(22-16)20-11-12-5-8-18-9-6-12/h2-10H,11H2,1H3,(H2,17,20,21,22)

>  <InChI Key>
PZFFKFAUQFEDHR-UHFFFAOYSA-N

