
 CHEMBL352378

 53 54  0  0  0  0  0  0  0  0999 V2000
    7.0225    1.9467    4.9645 C   0  0  0  0  0
    7.7087    1.1861    3.8388 C   0  0  0  0  0
    6.7472    0.4982    2.9696 N   0  0  0  0  0
    6.2760   -0.8276    3.3724 C   0  0  0  0  0
    4.9350   -0.7873    4.0952 C   0  0  0  0  0
    6.1593    1.2409    1.9492 C   0  0  0  0  0
    6.5387    2.5249    1.7848 N   0  0  0  0  0
    5.9340    3.2930    0.8564 C   0  0  0  0  0
    4.9598    2.8175    0.0610 N   0  0  0  0  0
    4.6287    1.5245    0.1705 C   0  0  0  0  0
    5.2050    0.6994    1.1098 C   0  0  0  0  0
    3.5343    1.0268   -0.7224 C   0  0  0  0  0
    6.2944    4.6577    0.7760 N   0  0  0  0  0
    5.3765    5.4639   -0.0514 C   0  0  0  0  0
    4.0624    5.7313    0.6820 C   0  0  0  0  0
    7.6420    5.1155    0.6580 C   0  0  0  0  0
    8.5910    4.4724   -0.1649 C   0  0  0  0  0
    9.8601    5.0300   -0.3830 C   0  0  0  0  0
   10.2424    6.2117    0.2477 C   0  0  0  0  0
    9.3484    6.8343    1.1114 C   0  0  0  0  0
    8.0681    6.2935    1.3133 C   0  0  0  0  0
    7.0361    7.1447    2.4195 Cl  0  0  0  0  0
   11.4981    6.6491   -0.0691 O   0  0  0  0  0
   11.9499    7.8385    0.5667 C   0  0  0  0  0
    8.2369    3.3413   -0.8618 O   0  0  0  0  0
    9.0793    2.2377   -0.5222 C   0  0  0  0  0
    7.7546    2.5437    5.5164 H   0  0  0  0  0
    6.5582    1.2595    5.6774 H   0  0  0  0  0
    6.2453    2.6198    4.5908 H   0  0  0  0  0
    8.3954    0.4524    4.2790 H   0  0  0  0  0
    8.3532    1.8637    3.2651 H   0  0  0  0  0
    7.0105   -1.2950    4.0396 H   0  0  0  0  0
    6.2174   -1.4942    2.5038 H   0  0  0  0  0
    4.9873   -0.1910    5.0095 H   0  0  0  0  0
    4.6325   -1.8012    4.3762 H   0  0  0  0  0
    4.1404   -0.3656    3.4734 H   0  0  0  0  0
    4.8887   -0.3308    1.1788 H   0  0  0  0  0
    3.6697   -0.0323   -0.9622 H   0  0  0  0  0
    3.5269    1.5839   -1.6648 H   0  0  0  0  0
    2.5661    1.1594   -0.2303 H   0  0  0  0  0
    5.1909    4.9987   -1.0281 H   0  0  0  0  0
    5.8083    6.4463   -0.2854 H   0  0  0  0  0
    3.4986    4.8134    0.8745 H   0  0  0  0  0
    3.4262    6.3919    0.0842 H   0  0  0  0  0
    4.2395    6.2148    1.6483 H   0  0  0  0  0
   10.5496    4.5557   -1.0770 H   0  0  0  0  0
    9.6110    7.7497    1.6302 H   0  0  0  0  0
   12.9597    8.0501    0.2013 H   0  0  0  0  0
   12.0085    7.7038    1.6518 H   0  0  0  0  0
   11.3166    8.6935    0.3069 H   0  0  0  0  0
    9.9736    2.2392   -1.1548 H   0  0  0  0  0
    8.5259    1.3152   -0.7228 H   0  0  0  0  0
    9.3653    2.2375    0.5371 H   0  0  0  0  0
  1  2  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  2  3  1  0  0  0
  2 30  1  0  0  0
  2 31  1  0  0  0
  3  6  1  0  0  0
  3  4  1  0  0  0
  4  5  1  0  0  0
  4 32  1  0  0  0
  4 33  1  0  0  0
  5 34  1  0  0  0
  5 35  1  0  0  0
  5 36  1  0  0  0
  6 11  1  0  0  0
  6  7  2  0  0  0
  7  8  1  0  0  0
  8  9  2  0  0  0
  8 13  1  0  0  0
  9 10  1  0  0  0
 10 11  2  0  0  0
 10 12  1  0  0  0
 11 37  1  0  0  0
 12 38  1  0  0  0
 12 39  1  0  0  0
 12 40  1  0  0  0
 13 16  1  0  0  0
 13 14  1  0  0  0
 14 15  1  0  0  0
 14 41  1  0  0  0
 14 42  1  0  0  0
 15 43  1  0  0  0
 15 44  1  0  0  0
 15 45  1  0  0  0
 16 21  1  0  0  0
 16 17  2  0  0  0
 17 18  1  0  0  0
 17 25  1  0  0  0
 18 19  2  0  0  0
 18 46  1  0  0  0
 19 20  1  0  0  0
 19 23  1  0  0  0
 20 21  2  0  0  0
 20 47  1  0  0  0
 21 22  1  0  0  0
 23 24  1  0  0  0
 24 48  1  0  0  0
 24 49  1  0  0  0
 24 50  1  0  0  0
 25 26  1  0  0  0
 26 51  1  0  0  0
 26 52  1  0  0  0
 26 53  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL352378

>  <PubChem CID>
10595854

>  <Formula>
C19H27ClN4O2

>  <Molecular Weight>
378.901000

>  <IUPAC Name>
2-N-(2-chloro-4,6-dimethoxyphenyl)-2-N,4-N,4-N-triethyl-6-methylpyrimidine-2,4-diamine

>  <XlogP>
4.7

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CCN(CC)C1=NC(=NC(=C1)C)N(CC)C2=C(C=C(C=C2Cl)OC)OC

>  <Isomeric SMILES>
CCN(CC)C1=NC(=NC(=C1)C)N(CC)C2=C(C=C(C=C2Cl)OC)OC

>  <InChI Std. ID>
InChI=1S/C19H27ClN4O2/c1-7-23(8-2)17-10-13(4)21-19(22-17)24(9-3)18-15(20)11-14(25-5)12-16(18)26-6/h10-12H,7-9H2,1-6H3

>  <InChI Key>
ADSLIDNGJTWAQF-UHFFFAOYSA-N

