
 CHEMBL496270

 47 48  0  0  0  0  0  0  0  0999 V2000
    2.1020    0.8183   -3.3121 C   0  0  0  0  0
    3.3210    1.0235   -2.4214 C   0  0  0  0  0
    2.8986    1.1575   -0.9607 C   0  0  0  0  0
    4.0456    1.3409   -0.0487 N   0  0  0  0  0
    4.6094    0.0752    0.4617 C   0  0  0  0  0
    4.7241    0.1041    1.9867 C   0  0  0  0  0
    5.3432   -1.1771    2.5215 C   0  0  0  0  0
    4.7910    2.5326   -0.0481 C   0  0  0  0  0
    4.2217    3.8179   -0.0861 C   0  0  0  0  0
    4.9357    4.9788   -0.1396 N   0  0  0  0  0
    6.2612    4.9154   -0.0508 C   0  0  0  0  0
    6.9250    3.7667    0.0573 N   0  0  0  0  0
    6.1934    2.6242    0.0702 C   0  0  0  0  0
    6.9483    1.4708    0.1461 O   0  0  0  0  0
    8.1393    1.6368    0.9100 C   0  0  0  0  0
    7.0620    6.1555   -0.1067 C   0  0  0  0  0
    6.6226    7.4189    0.3413 C   0  0  0  0  0
    7.4500    8.5512    0.2498 C   0  0  0  0  0
    8.7314    8.4437   -0.2768 C   0  0  0  0  0
    9.2013    7.2173   -0.7184 C   0  0  0  0  0
    8.3754    6.0891   -0.6323 C   0  0  0  0  0
    9.7407    9.8329   -0.3728 Cl  0  0  0  0  0
    5.0822    7.6871    1.0915 Cl  0  0  0  0  0
    2.7488    4.0880    0.0215 C   0  0  0  0  0
    2.4026    0.7070   -4.3572 H   0  0  0  0  0
    1.4197    1.6731   -3.2440 H   0  0  0  0  0
    1.5479   -0.0811   -3.0201 H   0  0  0  0  0
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    4.0033    0.1744   -2.5410 H   0  0  0  0  0
    2.3499    0.2504   -0.6704 H   0  0  0  0  0
    2.1481    1.9367   -0.8546 H   0  0  0  0  0
    5.5424   -0.2014   -0.0398 H   0  0  0  0  0
    3.9398   -0.7583    0.2127 H   0  0  0  0  0
    3.7235    0.2292    2.4185 H   0  0  0  0  0
    5.3197    0.9568    2.3279 H   0  0  0  0  0
    4.7888   -2.0572    2.1805 H   0  0  0  0  0
    5.3337   -1.1728    3.6159 H   0  0  0  0  0
    6.3818   -1.2746    2.1907 H   0  0  0  0  0
    7.9300    2.0923    1.8857 H   0  0  0  0  0
    8.8866    2.2182    0.3599 H   0  0  0  0  0
    8.5598    0.6427    1.0930 H   0  0  0  0  0
    7.0922    9.5156    0.6026 H   0  0  0  0  0
   10.2066    7.1189   -1.1232 H   0  0  0  0  0
    8.7696    5.1371   -0.9875 H   0  0  0  0  0
    2.2745    4.0219   -0.9615 H   0  0  0  0  0
    2.5732    5.1042    0.3942 H   0  0  0  0  0
    2.2705    3.4141    0.7385 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
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  2 28  1  0  0  0
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  3  4  1  0  0  0
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  4  8  1  0  0  0
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  5 33  1  0  0  0
  6  7  1  0  0  0
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  7 37  1  0  0  0
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  8  9  2  0  0  0
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  9 24  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL496270

>  <PubChem CID>
10155870

>  <Formula>
C18H23Cl2N3O

>  <Molecular Weight>
368.302000

>  <IUPAC Name>
2-(2,4-dichlorophenyl)-4-methoxy-6-methyl-N,N-dipropylpyrimidin-5-amine

>  <XlogP>
5.700

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CCCN(CCC)C1=C(N=C(N=C1OC)C2=C(C=C(C=C2)Cl)Cl)C

>  <Isomeric SMILES>
CCCN(CCC)C1=C(N=C(N=C1OC)C2=C(C=C(C=C2)Cl)Cl)C

>  <InChI Std. ID>
InChI=1S/C18H23Cl2N3O/c1-5-9-23(10-6-2)16-12(3)21-17(22-18(16)24-4)14-8-7-13(19)11-15(14)20/h7-8,11H,5-6,9-10H2,1-4H3

>  <InChI Key>
AUDZLQBYKYSLAE-UHFFFAOYSA-N

