
 CHEMBL3741030

 36 38  0  0  0  0  0  0  0  0999 V2000
    0.8537   -1.1265    0.6416 C   0  0  0  0  0
    2.3098   -0.8530    0.4143 C   0  0  0  0  0
    2.7727    0.4457    0.3752 C   0  0  0  0  0
    4.1203    0.6235    0.1260 C   0  0  0  0  0
    4.9609   -0.4209   -0.0352 N   0  0  0  0  0
    4.4349   -1.6634    0.0326 C   0  0  0  0  0
    3.1229   -1.9143    0.2472 N   0  0  0  0  0
    5.3422   -2.8321   -0.1255 C   0  0  0  0  0
    4.8576   -4.1449   -0.1014 C   0  0  0  0  0
    5.7401   -5.2136   -0.2533 C   0  0  0  0  0
    7.0925   -4.9571   -0.4243 C   0  0  0  0  0
    7.5076   -3.6381   -0.4354 C   0  0  0  0  0
    6.6748   -2.5841   -0.2926 N   0  0  0  0  0
    4.7322    2.0072    0.0997 C   0  0  0  0  0
    3.8709    3.0061   -0.4637 O   0  0  0  0  0
    3.7494    3.0333   -1.8290 C   0  0  0  0  0
    4.8322    2.8772   -2.6987 C   0  0  0  0  0
    4.6464    2.9765   -4.0816 C   0  0  0  0  0
    3.3826    3.2412   -4.6057 C   0  0  0  0  0
    2.2996    3.4151   -3.7464 C   0  0  0  0  0
    2.4837    3.3207   -2.3644 C   0  0  0  0  0
    1.1055    3.5529   -1.3456 Cl  0  0  0  0  0
    0.6619   -2.2035    0.6862 H   0  0  0  0  0
    0.2602   -0.7077   -0.1771 H   0  0  0  0  0
    0.5263   -0.6831    1.5871 H   0  0  0  0  0
    2.1077    1.2872    0.5262 H   0  0  0  0  0
    3.7971   -4.3385    0.0343 H   0  0  0  0  0
    5.3698   -6.2348   -0.2374 H   0  0  0  0  0
    7.8060   -5.7643   -0.5453 H   0  0  0  0  0
    8.5554   -3.3826   -0.5640 H   0  0  0  0  0
    5.7209    1.9954   -0.3699 H   0  0  0  0  0
    4.9028    2.3032    1.1419 H   0  0  0  0  0
    5.8392    2.7055   -2.3325 H   0  0  0  0  0
    5.4960    2.8569   -4.7507 H   0  0  0  0  0
    3.2437    3.3214   -5.6813 H   0  0  0  0  0
    1.3164    3.6292   -4.1574 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
  3 26  1  0  0  0
  4  5  2  0  0  0
  4 14  1  0  0  0
  5  6  1  0  0  0
  6  7  2  0  0  0
  6  8  1  0  0  0
  8  9  2  0  0  0
  8 13  1  0  0  0
  9 10  1  0  0  0
  9 27  1  0  0  0
 10 11  2  0  0  0
 10 28  1  0  0  0
 11 12  1  0  0  0
 11 29  1  0  0  0
 12 13  2  0  0  0
 12 30  1  0  0  0
 14 15  1  0  0  0
 14 31  1  0  0  0
 14 32  1  0  0  0
 15 16  1  0  0  0
 16 17  2  0  0  0
 16 21  1  0  0  0
 17 18  1  0  0  0
 17 33  1  0  0  0
 18 19  2  0  0  0
 18 34  1  0  0  0
 19 20  1  0  0  0
 19 35  1  0  0  0
 20 21  2  0  0  0
 20 36  1  0  0  0
 21 22  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3741030

>  <PubChem CID>
127040388

>  <Formula>
C17H14ClN3O

>  <Molecular Weight>
311.769000

>  <IUPAC Name>
4-[(2-chlorophenoxy)methyl]-6-methyl-2-pyridin-2-ylpyrimidine

>  <XlogP>
3.4

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1=CC(=NC(=N1)C2=CC=CC=N2)COC3=CC=CC=C3Cl

>  <Isomeric SMILES>
CC1=CC(=NC(=N1)C2=CC=CC=N2)COC3=CC=CC=C3Cl

>  <InChI Std. ID>
InChI=1S/C17H14ClN3O/c1-12-10-13(11-22-16-8-3-2-6-14(16)18)21-17(20-12)15-7-4-5-9-19-15/h2-10H,11H2,1H3

>  <InChI Key>
AMZUNHSQKCBELL-UHFFFAOYSA-N

