
 CHEMBL207097

 41 43  0  0  0  0  0  0  0  0999 V2000
    0.7561   -0.9552   -1.3941 C   0  0  0  0  0
    2.1258   -1.0751   -0.7972 C   0  0  0  0  0
    2.7446    0.0709   -0.4445 N   0  0  0  0  0
    3.9743   -0.0332    0.0954 C   0  0  0  0  0
    4.6360   -1.2361    0.2788 C   0  0  0  0  0
    4.0012   -2.4291   -0.0864 C   0  0  0  0  0
    2.7137   -2.3254   -0.6318 C   0  0  0  0  0
    4.6380   -3.6897    0.0771 N   0  0  0  0  0
    5.1566   -3.9322    1.4333 C   0  0  0  0  0
    4.4377   -4.8274   -0.7343 C   0  0  0  0  0
    4.2102   -4.7378   -2.1037 C   0  0  0  0  0
    4.0039   -5.7827   -2.9397 N   0  0  0  0  0
    4.0510   -6.9926   -2.3713 C   0  0  0  0  0
    4.2787   -7.2379   -1.0757 N   0  0  0  0  0
    4.4681   -6.1452   -0.2964 C   0  0  0  0  0
    4.6246    1.1061    0.5311 O   0  0  0  0  0
    3.8726    2.2979    0.2869 C   0  0  0  0  0
    4.4248    3.4551    1.0921 C   0  0  0  0  0
    4.8984    3.2692    2.3998 C   0  0  0  0  0
    5.3012    4.3642    3.1651 C   0  0  0  0  0
    5.2297    5.6554    2.6458 C   0  0  0  0  0
    4.7552    5.8532    1.3497 C   0  0  0  0  0
    4.3518    4.7599    0.5790 C   0  0  0  0  0
    5.8693    4.1213    4.7713 Cl  0  0  0  0  0
    0.0446   -1.5793   -0.8448 H   0  0  0  0  0
    0.7751   -1.2663   -2.4432 H   0  0  0  0  0
    0.4028    0.0798   -1.3500 H   0  0  0  0  0
    5.6418   -1.2265    0.6820 H   0  0  0  0  0
    2.1536   -3.2134   -0.9105 H   0  0  0  0  0
    5.5122   -3.0271    1.9354 H   0  0  0  0  0
    6.0192   -4.6090    1.4054 H   0  0  0  0  0
    4.3791   -4.3719    2.0695 H   0  0  0  0  0
    4.1993   -3.7714   -2.6026 H   0  0  0  0  0
    3.8932   -7.8498   -3.0165 H   0  0  0  0  0
    4.6366   -6.3977    0.7456 H   0  0  0  0  0
    2.8228    2.1921    0.5902 H   0  0  0  0  0
    3.9305    2.5301   -0.7840 H   0  0  0  0  0
    4.9385    2.2702    2.8271 H   0  0  0  0  0
    5.5322    6.5082    3.2464 H   0  0  0  0  0
    4.6869    6.8589    0.9438 H   0  0  0  0  0
    3.9633    4.9347   -0.4227 H   0  0  0  0  0
  1  2  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  1 27  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 16  1  0  0  0
  5  6  1  0  0  0
  5 28  1  0  0  0
  6  7  2  0  0  0
  6  8  1  0  0  0
  7 29  1  0  0  0
  8 10  1  0  0  0
  8  9  1  0  0  0
  9 30  1  0  0  0
  9 31  1  0  0  0
  9 32  1  0  0  0
 10 15  1  0  0  0
 10 11  2  0  0  0
 11 12  1  0  0  0
 11 33  1  0  0  0
 12 13  2  0  0  0
 13 14  1  0  0  0
 13 34  1  0  0  0
 14 15  2  0  0  0
 15 35  1  0  0  0
 16 17  1  0  0  0
 17 18  1  0  0  0
 17 36  1  0  0  0
 17 37  1  0  0  0
 18 19  2  0  0  0
 18 23  1  0  0  0
 19 20  1  0  0  0
 19 38  1  0  0  0
 20 21  2  0  0  0
 20 24  1  0  0  0
 21 22  1  0  0  0
 21 39  1  0  0  0
 22 23  2  0  0  0
 22 40  1  0  0  0
 23 41  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL207097

>  <PubChem CID>
44410038

>  <Formula>
C18H17ClN4O

>  <Molecular Weight>
340.811000

>  <IUPAC Name>
N-[2-[(3-chlorophenyl)methoxy]-6-methylpyridin-4-yl]-N-methylpyrimidin-5-amine

>  <XlogP>
3.6

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1=NC(=CC(=C1)N(C)C2=CN=CN=C2)OCC3=CC(=CC=C3)Cl

>  <Isomeric SMILES>
CC1=NC(=CC(=C1)N(C)C2=CN=CN=C2)OCC3=CC(=CC=C3)Cl

>  <InChI Std. ID>
InChI=1S/C18H17ClN4O/c1-13-6-16(23(2)17-9-20-12-21-10-17)8-18(22-13)24-11-14-4-3-5-15(19)7-14/h3-10,12H,11H2,1-2H3

>  <InChI Key>
AMXQQNOPZVBITB-UHFFFAOYSA-N

