
 Pyrimidin-4-ylacetamide, 9

 53 56  0  0  0  0  0  0  0  0999 V2000
    4.3127    3.4956   -1.0235 C   0  0  0  0  0
    4.1818    2.1492   -0.4336 C   0  0  0  0  0
    3.1272    1.4478    0.1079 C   0  0  0  0  0
    3.6388    0.1765    0.4632 C   0  0  0  0  0
    4.9799    0.1763    0.1285 C   0  0  0  0  0
    5.3128    1.3906   -0.4103 O   0  0  0  0  0
    6.0329   -0.8227    0.2077 C   0  0  0  0  0
    7.3037   -0.4010    0.1505 N   0  0  0  0  0
    8.2508   -1.3564    0.2154 C   0  0  0  0  0
    7.9336   -2.6995    0.3276 C   0  0  0  0  0
    6.5937   -3.0252    0.3897 C   0  0  0  0  0
    5.6345   -2.0983    0.3503 N   0  0  0  0  0
    6.2861   -4.3795    0.5410 N   0  0  0  0  0
    5.0906   -5.0280    0.5711 C   0  0  0  0  0
    5.1168   -6.2458    0.8012 O   0  0  0  0  0
    3.7544   -4.3366    0.2900 C   0  0  0  0  0
    3.4841   -4.2444   -1.1644 N   0  0  0  0  0
    3.3736   -5.5698   -1.8200 C   0  0  0  0  0
    2.0951   -6.3449   -1.4593 C   0  0  0  0  0
    0.9231   -5.5753   -1.7613 O   0  0  0  0  0
    0.9499   -4.3155   -1.0800 C   0  0  0  0  0
    2.2216   -3.5134   -1.4170 C   0  0  0  0  0
    9.6335   -0.9799    0.1714 N   0  0  0  0  0
   10.1874    0.2940    0.1369 C   0  0  0  0  0
   11.5544    0.1203    0.0740 C   0  0  0  0  0
   11.7592   -1.2705    0.0902 C   0  0  0  0  0
   10.6063   -1.9389    0.1667 N   0  0  0  0  0
   13.0460   -2.0051    0.0344 C   0  0  0  0  0
    9.4061    1.5568    0.1735 C   0  0  0  0  0
    3.4030    4.0834   -0.8659 H   0  0  0  0  0
    4.4877    3.4214   -2.1014 H   0  0  0  0  0
    5.1507    4.0359   -0.5732 H   0  0  0  0  0
    2.1126    1.8043    0.2182 H   0  0  0  0  0
    3.1033   -0.6514    0.9059 H   0  0  0  0  0
    8.7028   -3.4613    0.3726 H   0  0  0  0  0
    7.0590   -5.0206    0.6580 H   0  0  0  0  0
    3.7339   -3.3528    0.7631 H   0  0  0  0  0
    2.9823   -4.9142    0.8127 H   0  0  0  0  0
    4.2581   -6.1865   -1.6333 H   0  0  0  0  0
    3.3678   -5.3912   -2.9036 H   0  0  0  0  0
    2.0435   -7.2645   -2.0514 H   0  0  0  0  0
    2.0755   -6.6354   -0.4028 H   0  0  0  0  0
    0.0668   -3.7533   -1.4000 H   0  0  0  0  0
    0.8530   -4.4884   -0.0024 H   0  0  0  0  0
    2.1971   -3.2639   -2.4859 H   0  0  0  0  0
    2.2162   -2.5566   -0.8823 H   0  0  0  0  0
   12.3030    0.8998    0.0271 H   0  0  0  0  0
   13.8960   -1.3185    0.1007 H   0  0  0  0  0
   13.1288   -2.5577   -0.9071 H   0  0  0  0  0
   13.1218   -2.7173    0.8623 H   0  0  0  0  0
   10.0774    2.4223    0.1947 H   0  0  0  0  0
    8.7838    1.6094    1.0724 H   0  0  0  0  0
    8.7744    1.6548   -0.7141 H   0  0  0  0  0
  1  2  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  1 32  1  0  0  0
  2  3  2  0  0  0
  2  6  1  0  0  0
  3  4  1  0  0  0
  3 33  1  0  0  0
  4  5  2  0  0  0
  4 34  1  0  0  0
  5  6  1  0  0  0
  5  7  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 23  1  0  0  0
 10 11  1  0  0  0
 10 35  1  0  0  0
 11 12  2  0  0  0
 11 13  1  0  0  0
 13 14  1  0  0  0
 13 36  1  0  0  0
 14 16  1  0  0  0
 14 15  2  0  0  0
 16 17  1  0  0  0
 16 37  1  0  0  0
 16 38  1  0  0  0
 17 22  1  0  0  0
 17 18  1  0  0  0
 18 19  1  0  0  0
 18 39  1  0  0  0
 18 40  1  0  0  0
 19 20  1  0  0  0
 19 41  1  0  0  0
 19 42  1  0  0  0
 20 21  1  0  0  0
 21 22  1  0  0  0
 21 43  1  0  0  0
 21 44  1  0  0  0
 22 45  1  0  0  0
 22 46  1  0  0  0
 23 24  1  0  0  0
 23 27  1  0  0  0
 24 25  2  0  0  0
 24 29  1  0  0  0
 25 26  1  0  0  0
 25 47  1  0  0  0
 26 27  2  0  0  0
 26 28  1  0  0  0
 28 48  1  0  0  0
 28 49  1  0  0  0
 28 50  1  0  0  0
 29 51  1  0  0  0
 29 52  1  0  0  0
 29 53  1  0  0  0
M  END

>  <Chemical Name>
Pyrimidin-4-ylacetamide, 9

>  <PubChem CID>
24768420

>  <Formula>
C20H24N6O3

>  <Molecular Weight>
396.451000

>  <IUPAC Name>
N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-morpholin-4-ylacetamide

>  <XlogP>
1.7

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CC1=CC=C(O1)C2=NC(=CC(=N2)NC(=O)CN3CCOCC3)N4C(=CC(=N4)C)C

>  <Isomeric SMILES>
CC1=CC=C(O1)C2=NC(=CC(=N2)NC(=O)CN3CCOCC3)N4C(=CC(=N4)C)C

>  <InChI Std. ID>
InChI=1S/C20H24N6O3/c1-13-10-14(2)26(24-13)18-11-17(21-19(27)12-25-6-8-28-9-7-25)22-20(23-18)16-5-4-15(3)29-16/h4-5,10-11H,6-9,12H2,1-3H3,(H,21,22,23,27)

>  <InChI Key>
ABOTXPKVARXPFD-UHFFFAOYSA-N

