
 CHEMBL1650167

 48 50  0  0  0  0  0  0  0  0999 V2000
    1.4205    2.9248   -0.3535 C   0  0  0  0  0
    1.8139    2.7165    1.0976 C   0  0  0  0  0
    2.9976    1.7838    1.2384 C   0  0  0  0  0
    2.8060    0.5886    1.4975 O   0  0  0  0  0
    4.2736    2.2052    1.0729 N   0  0  0  0  0
    4.7973    3.4476    0.7649 C   0  0  0  0  0
    4.0096    4.5047    0.5765 N   0  0  0  0  0
    4.5877    5.6718    0.2155 C   0  0  0  0  0
    5.9568    5.7789    0.0865 C   0  0  0  0  0
    6.7050    4.6384    0.3088 C   0  0  0  0  0
    6.1289    3.4733    0.6693 N   0  0  0  0  0
    8.1778    4.6385    0.1831 C   0  0  0  0  0
    8.9319    5.6644    0.7937 C   0  0  0  0  0
   10.3225    5.7212    0.6762 C   0  0  0  0  0
   10.9945    4.7478   -0.0523 C   0  0  0  0  0
   10.2790    3.7173   -0.6607 C   0  0  0  0  0
    8.8821    3.6500   -0.5412 C   0  0  0  0  0
    8.1475    2.6931   -1.2001 O   0  0  0  0  0
    8.7384    1.3981   -1.2440 C   0  0  0  0  0
    3.6485    6.7985   -0.0026 C   0  0  0  0  0
    2.5185    6.9150    0.8381 C   0  0  0  0  0
    1.5756    7.9301    0.6725 C   0  0  0  0  0
    1.7366    8.8572   -0.3472 C   0  0  0  0  0
    2.8418    8.7744   -1.1947 C   0  0  0  0  0
    3.8029    7.7644   -1.0269 C   0  0  0  0  0
    4.8905    7.6275   -1.8552 O   0  0  0  0  0
    5.2368    8.7356   -2.6773 C   0  0  0  0  0
    0.5676    3.6077   -0.4207 H   0  0  0  0  0
    1.1313    1.9744   -0.8147 H   0  0  0  0  0
    2.2367    3.3392   -0.9512 H   0  0  0  0  0
    0.9707    2.2627    1.6337 H   0  0  0  0  0
    2.0037    3.6620    1.6107 H   0  0  0  0  0
    4.9804    1.4946    1.1767 H   0  0  0  0  0
    6.4307    6.7108   -0.1898 H   0  0  0  0  0
    8.4335    6.4365    1.3778 H   0  0  0  0  0
   10.8767    6.5280    1.1492 H   0  0  0  0  0
   12.0754    4.7946   -0.1580 H   0  0  0  0  0
   10.8283    2.9905   -1.2505 H   0  0  0  0  0
    9.5097    1.3499   -2.0189 H   0  0  0  0  0
    7.9557    0.6822   -1.5133 H   0  0  0  0  0
    9.1432    1.1015   -0.2698 H   0  0  0  0  0
    2.3661    6.1934    1.6395 H   0  0  0  0  0
    0.7142    7.9850    1.3334 H   0  0  0  0  0
    0.9966    9.6402   -0.4924 H   0  0  0  0  0
    2.9155    9.5050   -1.9941 H   0  0  0  0  0
    6.2298    8.5422   -3.0945 H   0  0  0  0  0
    5.2981    9.6640   -2.0991 H   0  0  0  0  0
    4.5353    8.8321   -3.5115 H   0  0  0  0  0
  1  2  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  2  3  1  0  0  0
  2 31  1  0  0  0
  2 32  1  0  0  0
  3  5  1  0  0  0
  3  4  2  0  0  0
  5  6  1  0  0  0
  5 33  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 20  1  0  0  0
  9 10  1  0  0  0
  9 34  1  0  0  0
 10 11  2  0  0  0
 10 12  1  0  0  0
 12 13  2  0  0  0
 12 17  1  0  0  0
 13 14  1  0  0  0
 13 35  1  0  0  0
 14 15  2  0  0  0
 14 36  1  0  0  0
 15 16  1  0  0  0
 15 37  1  0  0  0
 16 17  2  0  0  0
 16 38  1  0  0  0
 17 18  1  0  0  0
 18 19  1  0  0  0
 19 39  1  0  0  0
 19 40  1  0  0  0
 19 41  1  0  0  0
 20 21  2  0  0  0
 20 25  1  0  0  0
 21 22  1  0  0  0
 21 42  1  0  0  0
 22 23  2  0  0  0
 22 43  1  0  0  0
 23 24  1  0  0  0
 23 44  1  0  0  0
 24 25  2  0  0  0
 24 45  1  0  0  0
 25 26  1  0  0  0
 26 27  1  0  0  0
 27 46  1  0  0  0
 27 47  1  0  0  0
 27 48  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1650167

>  <PubChem CID>
50940925

>  <Formula>
C21H21N3O3

>  <Molecular Weight>
363.417000

>  <IUPAC Name>
N-[4,6-bis(2-methoxyphenyl)pyrimidin-2-yl]propanamide

>  <XlogP>
3.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CCC(=O)NC1=NC(=CC(=N1)C2=CC=CC=C2OC)C3=CC=CC=C3OC

>  <Isomeric SMILES>
CCC(=O)NC1=NC(=CC(=N1)C2=CC=CC=C2OC)C3=CC=CC=C3OC

>  <InChI Std. ID>
InChI=1S/C21H21N3O3/c1-4-20(25)24-21-22-16(14-9-5-7-11-18(14)26-2)13-17(23-21)15-10-6-8-12-19(15)27-3/h5-13H,4H2,1-3H3,(H,22,23,24,25)

>  <InChI Key>
AKAONMCOZSVUHM-UHFFFAOYSA-N

