
 CHEMBL3342363

 31 33  0  0  0  0  0  0  0  0999 V2000
    1.8548    0.0583   -1.8285 C   0  0  0  0  0
    1.5485    1.4659   -1.3979 C   0  0  0  0  0
    1.5685    0.3564   -0.3766 C   0  0  0  0  0
    2.6572    0.2863    0.6547 C   0  0  0  0  0
    2.9764   -1.1155    0.8745 N   0  0  0  0  0
    4.0148   -1.3465    1.7938 C   0  0  0  0  0
    4.5487   -0.3312    2.4866 N   0  0  0  0  0
    5.5021   -0.6436    3.3735 C   0  0  0  0  0
    5.9687   -1.8691    3.6381 N   0  0  0  0  0
    5.4037   -2.8872    2.9488 C   0  0  0  0  0
    4.4143   -2.6524    2.0060 C   0  0  0  0  0
    5.8736   -4.2563    3.2663 C   0  0  0  0  0
    6.8809   -4.5007    4.2023 C   0  0  0  0  0
    7.2567   -5.8133    4.4836 C   0  0  0  0  0
    6.6223   -6.8574    3.8260 C   0  0  0  0  0
    5.6399   -6.5435    2.9050 C   0  0  0  0  0
    5.2581   -5.2806    2.6106 N   0  0  0  0  0
    1.0984   -0.4785   -2.3903 H   0  0  0  0  0
    2.8727   -0.1704   -2.1233 H   0  0  0  0  0
    0.5866    1.8836   -1.6742 H   0  0  0  0  0
    2.3609    2.1843   -1.4062 H   0  0  0  0  0
    0.6179    0.0221    0.0260 H   0  0  0  0  0
    2.2919    0.7520    1.5780 H   0  0  0  0  0
    3.5413    0.8386    0.3121 H   0  0  0  0  0
    3.1825   -1.5944    0.0038 H   0  0  0  0  0
    5.9351    0.1769    3.9315 H   0  0  0  0  0
    3.9520   -3.4685    1.4640 H   0  0  0  0  0
    7.3676   -3.6781    4.7180 H   0  0  0  0  0
    8.0343   -6.0137    5.2151 H   0  0  0  0  0
    6.8853   -7.8896    4.0270 H   0  0  0  0  0
    5.1123   -7.3236    2.3634 H   0  0  0  0  0
  1  3  1  0  0  0
  1  2  1  0  0  0
  1 18  1  0  0  0
  1 19  1  0  0  0
  2  3  1  0  0  0
  2 20  1  0  0  0
  2 21  1  0  0  0
  3  4  1  0  0  0
  3 22  1  0  0  0
  4  5  1  0  0  0
  4 23  1  0  0  0
  4 24  1  0  0  0
  5  6  1  0  0  0
  5 25  1  0  0  0
  6  7  2  0  0  0
  6 11  1  0  0  0
  7  8  1  0  0  0
  8  9  2  0  0  0
  8 26  1  0  0  0
  9 10  1  0  0  0
 10 11  2  0  0  0
 10 12  1  0  0  0
 11 27  1  0  0  0
 12 13  2  0  0  0
 12 17  1  0  0  0
 13 14  1  0  0  0
 13 28  1  0  0  0
 14 15  2  0  0  0
 14 29  1  0  0  0
 15 16  1  0  0  0
 15 30  1  0  0  0
 16 17  2  0  0  0
 16 31  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3342363

>  <PubChem CID>
118716406

>  <Formula>
C13H14N4

>  <Molecular Weight>
226.283000

>  <IUPAC Name>
N-(cyclopropylmethyl)-6-pyridin-2-ylpyrimidin-4-amine

>  <XlogP>
1.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CC1CNC2=NC=NC(=C2)C3=CC=CC=N3

>  <Isomeric SMILES>
C1CC1CNC2=NC=NC(=C2)C3=CC=CC=N3

>  <InChI Std. ID>
InChI=1S/C13H14N4/c1-2-6-14-11(3-1)12-7-13(17-9-16-12)15-8-10-4-5-10/h1-3,6-7,9-10H,4-5,8H2,(H,15,16,17)

>  <InChI Key>
JYQJSCQGOKLUNN-UHFFFAOYSA-N

