
 CHEMBL3342372

 37 39  0  0  0  0  0  0  0  0999 V2000
    0.9543   -0.0485    0.2060 C   0  0  0  0  0
    2.4326    0.1058    0.0318 C   0  0  0  0  0
    2.8963    1.3250   -0.2799 N   0  0  0  0  0
    4.2394    1.4672   -0.3753 C   0  0  0  0  0
    5.0909    0.3971   -0.1584 C   0  0  0  0  0
    4.5272   -0.8256    0.1441 C   0  0  0  0  0
    3.1988   -0.9740    0.2539 N   0  0  0  0  0
    5.3833   -1.9074    0.4178 N   0  0  0  0  0
    4.6992   -3.1832    0.5866 C   0  0  0  0  0
    5.7149   -4.2767    0.8452 C   0  0  0  0  0
    5.8116   -4.8727    2.1122 C   0  0  0  0  0
    6.7353   -5.8936    2.3488 C   0  0  0  0  0
    7.5757   -6.3182    1.3230 C   0  0  0  0  0
    7.4999   -5.7320    0.0612 C   0  0  0  0  0
    6.5697   -4.7169   -0.1787 C   0  0  0  0  0
    8.7133   -7.5759    1.6134 Cl  0  0  0  0  0
    4.7431    2.8207   -0.7118 C   0  0  0  0  0
    3.8897    3.9171   -0.8611 C   0  0  0  0  0
    4.4209    5.1680   -1.1706 C   0  0  0  0  0
    5.7926    5.3029   -1.3268 C   0  0  0  0  0
    6.5784    4.1760   -1.1687 C   0  0  0  0  0
    6.0906    2.9508   -0.8694 N   0  0  0  0  0
    0.6456   -1.0777   -0.0015 H   0  0  0  0  0
    0.4154    0.6158   -0.4762 H   0  0  0  0  0
    0.6778    0.2016    1.2345 H   0  0  0  0  0
    6.1661    0.5180   -0.2133 H   0  0  0  0  0
    6.1136   -1.9543   -0.2848 H   0  0  0  0  0
    4.1246   -3.4504   -0.3104 H   0  0  0  0  0
    3.9978   -3.1359    1.4298 H   0  0  0  0  0
    5.1647   -4.5445    2.9233 H   0  0  0  0  0
    6.7932   -6.3505    3.3325 H   0  0  0  0  0
    8.1582   -6.0612   -0.7389 H   0  0  0  0  0
    6.5139   -4.2725   -1.1702 H   0  0  0  0  0
    2.8169    3.8035   -0.7349 H   0  0  0  0  0
    3.7654    6.0263   -1.2854 H   0  0  0  0  0
    6.2384    6.2619   -1.5651 H   0  0  0  0  0
    7.6578    4.2285   -1.2807 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  7  1  0  0  0
  2  3  2  0  0  0
  3  4  1  0  0  0
  4  5  2  0  0  0
  4 17  1  0  0  0
  5  6  1  0  0  0
  5 26  1  0  0  0
  6  7  2  0  0  0
  6  8  1  0  0  0
  8  9  1  0  0  0
  8 27  1  0  0  0
  9 10  1  0  0  0
  9 28  1  0  0  0
  9 29  1  0  0  0
 10 11  2  0  0  0
 10 15  1  0  0  0
 11 12  1  0  0  0
 11 30  1  0  0  0
 12 13  2  0  0  0
 12 31  1  0  0  0
 13 14  1  0  0  0
 13 16  1  0  0  0
 14 15  2  0  0  0
 14 32  1  0  0  0
 15 33  1  0  0  0
 17 18  2  0  0  0
 17 22  1  0  0  0
 18 19  1  0  0  0
 18 34  1  0  0  0
 19 20  2  0  0  0
 19 35  1  0  0  0
 20 21  1  0  0  0
 20 36  1  0  0  0
 21 22  2  0  0  0
 21 37  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3342372

>  <PubChem CID>
3395869

>  <Formula>
C17H15ClN4

>  <Molecular Weight>
310.785000

>  <IUPAC Name>
N-[(4-chlorophenyl)methyl]-2-methyl-6-pyridin-2-ylpyrimidin-4-amine

>  <XlogP>
3.7

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1=NC(=CC(=N1)NCC2=CC=C(C=C2)Cl)C3=CC=CC=N3

>  <Isomeric SMILES>
CC1=NC(=CC(=N1)NCC2=CC=C(C=C2)Cl)C3=CC=CC=N3

>  <InChI Std. ID>
InChI=1S/C17H15ClN4/c1-12-21-16(15-4-2-3-9-19-15)10-17(22-12)20-11-13-5-7-14(18)8-6-13/h2-10H,11H2,1H3,(H,20,21,22)

>  <InChI Key>
GRILMLILBQPHHQ-UHFFFAOYSA-N

