
 CHEMBL376778

 43 45  0  0  0  0  0  0  0  0999 V2000
    1.4689    3.0283   -1.0728 C   0  0  0  0  0
    1.9484    2.6166    0.3176 C   0  0  0  0  0
    0.8329    1.8680    1.0537 C   0  0  0  0  0
    3.1947    1.7415    0.2071 C   0  0  0  0  0
    3.1047    0.5084    0.2379 O   0  0  0  0  0
    4.4326    2.2665    0.0397 N   0  0  0  0  0
    4.8858    3.5721   -0.0010 C   0  0  0  0  0
    4.0496    4.6051    0.0410 N   0  0  0  0  0
    4.5792    5.8442   -0.0202 C   0  0  0  0  0
    5.9423    6.0515   -0.0796 C   0  0  0  0  0
    6.7455    4.9284   -0.0915 C   0  0  0  0  0
    6.2160    3.6861   -0.0773 N   0  0  0  0  0
    8.2227    4.9940   -0.1190 C   0  0  0  0  0
    8.9375    6.0336    0.5065 C   0  0  0  0  0
   10.3359    6.0773    0.4760 C   0  0  0  0  0
   11.0521    5.0791   -0.1774 C   0  0  0  0  0
   10.3721    4.0352   -0.7960 C   0  0  0  0  0
    8.9748    3.9938   -0.7637 C   0  0  0  0  0
    3.6031    6.9475   -0.0168 C   0  0  0  0  0
    2.4829    6.9101    0.8335 C   0  0  0  0  0
    1.5397    7.9412    0.8391 C   0  0  0  0  0
    1.6952    9.0298   -0.0137 C   0  0  0  0  0
    2.7920    9.0884   -0.8691 C   0  0  0  0  0
    3.7374    8.0577   -0.8699 C   0  0  0  0  0
    2.2345    3.5808   -1.6230 H   0  0  0  0  0
    0.5793    3.6622   -1.0044 H   0  0  0  0  0
    1.2121    2.1492   -1.6741 H   0  0  0  0  0
    2.1708    3.4990    0.9234 H   0  0  0  0  0
    0.5171    0.9727    0.5090 H   0  0  0  0  0
   -0.0423    2.5115    1.1869 H   0  0  0  0  0
    1.1727    1.5518    2.0455 H   0  0  0  0  0
    5.1753    1.5867   -0.0120 H   0  0  0  0  0
    6.3569    7.0504   -0.1120 H   0  0  0  0  0
    8.4165    6.8182    1.0503 H   0  0  0  0  0
   10.8649    6.8878    0.9716 H   0  0  0  0  0
   12.1384    5.1102   -0.1980 H   0  0  0  0  0
   10.9255    3.2476   -1.3014 H   0  0  0  0  0
    8.4673    3.1637   -1.2529 H   0  0  0  0  0
    2.3396    6.0641    1.5041 H   0  0  0  0  0
    0.6826    7.8876    1.5051 H   0  0  0  0  0
    0.9579    9.8279   -0.0169 H   0  0  0  0  0
    2.9081    9.9319   -1.5454 H   0  0  0  0  0
    4.5698    8.1207   -1.5678 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  4  1  0  0  0
  2  3  1  0  0  0
  2 28  1  0  0  0
  3 29  1  0  0  0
  3 30  1  0  0  0
  3 31  1  0  0  0
  4  6  1  0  0  0
  4  5  2  0  0  0
  6  7  1  0  0  0
  6 32  1  0  0  0
  7 12  1  0  0  0
  7  8  2  0  0  0
  8  9  1  0  0  0
  9 10  2  0  0  0
  9 19  1  0  0  0
 10 11  1  0  0  0
 10 33  1  0  0  0
 11 12  2  0  0  0
 11 13  1  0  0  0
 13 14  2  0  0  0
 13 18  1  0  0  0
 14 15  1  0  0  0
 14 34  1  0  0  0
 15 16  2  0  0  0
 15 35  1  0  0  0
 16 17  1  0  0  0
 16 36  1  0  0  0
 17 18  2  0  0  0
 17 37  1  0  0  0
 18 38  1  0  0  0
 19 20  2  0  0  0
 19 24  1  0  0  0
 20 21  1  0  0  0
 20 39  1  0  0  0
 21 22  2  0  0  0
 21 40  1  0  0  0
 22 23  1  0  0  0
 22 41  1  0  0  0
 23 24  2  0  0  0
 23 42  1  0  0  0
 24 43  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL376778

>  <PubChem CID>
11381543

>  <Formula>
C20H19N3O

>  <Molecular Weight>
317.392000

>  <IUPAC Name>
N-(4,6-diphenylpyrimidin-2-yl)-2-methylpropanamide

>  <XlogP>
4.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC(C)C(=O)NC1=NC(=CC(=N1)C2=CC=CC=C2)C3=CC=CC=C3

>  <Isomeric SMILES>
CC(C)C(=O)NC1=NC(=CC(=N1)C2=CC=CC=C2)C3=CC=CC=C3

>  <InChI Std. ID>
InChI=1S/C20H19N3O/c1-14(2)19(24)23-20-21-17(15-9-5-3-6-10-15)13-18(22-20)16-11-7-4-8-12-16/h3-14H,1-2H3,(H,21,22,23,24)

>  <InChI Key>
AGCKGTMTDBKSHH-UHFFFAOYSA-N

