
 Pyrimidin-4-ylacetamide, 6

 60 63  0  0  0  0  0  0  0  0999 V2000
   11.2330    5.6264   -7.7439 C   0  0  0  0  0
   11.2495    6.2844   -6.3702 C   0  0  0  0  0
    9.9194    6.6804   -5.8760 N   0  0  0  0  0
   10.0723    7.4049   -4.5970 C   0  0  0  0  0
    8.7342    7.7039   -3.8880 C   0  0  0  0  0
    7.8575    6.5281   -3.6700 N   0  0  0  0  0
    7.6818    5.8782   -4.9941 C   0  0  0  0  0
    9.0022    5.5334   -5.7353 C   0  0  0  0  0
    8.4356    5.5421   -2.7207 C   0  0  0  0  0
    8.5911    6.0821   -1.2999 C   0  0  0  0  0
    9.5264    5.7024   -0.5955 O   0  0  0  0  0
    7.6037    6.9602   -0.9215 N   0  0  0  0  0
    7.5095    7.6367    0.2941 C   0  0  0  0  0
    6.7459    8.7359    0.2540 N   0  0  0  0  0
    6.6881    9.4646    1.3781 C   0  0  0  0  0
    7.3035    9.1749    2.5370 N   0  0  0  0  0
    8.0303    8.0359    2.5500 C   0  0  0  0  0
    8.1538    7.2217    1.4406 C   0  0  0  0  0
    8.6996    7.6524    3.7595 N   0  0  0  0  0
    8.9157    8.4078    4.9054 C   0  0  0  0  0
    9.5167    7.5642    5.8174 C   0  0  0  0  0
    9.6633    6.3348    5.1512 C   0  0  0  0  0
    9.2106    6.3961    3.8980 N   0  0  0  0  0
   10.2491    5.0763    5.6713 C   0  0  0  0  0
    8.5795    9.8474    5.0423 C   0  0  0  0  0
    5.9145   10.6954    1.3557 C   0  0  0  0  0
    5.3705   11.4994    2.3388 C   0  0  0  0  0
    4.7621   12.5967    1.6810 C   0  0  0  0  0
    4.9809   12.4065    0.3340 C   0  0  0  0  0
    5.6683   11.2489    0.1281 O   0  0  0  0  0
    4.6451   13.1852   -0.8738 C   0  0  0  0  0
   12.2612    5.4727   -8.0925 H   0  0  0  0  0
   10.7190    6.2543   -8.4792 H   0  0  0  0  0
   10.7485    4.6463   -7.7189 H   0  0  0  0  0
   11.8767    7.1822   -6.4475 H   0  0  0  0  0
   11.7439    5.6109   -5.6589 H   0  0  0  0  0
   10.5706    8.3626   -4.7919 H   0  0  0  0  0
   10.7185    6.8439   -3.9105 H   0  0  0  0  0
    8.9359    8.2198   -2.9417 H   0  0  0  0  0
    8.1727    8.4318   -4.4919 H   0  0  0  0  0
    7.0781    4.9679   -4.8846 H   0  0  0  0  0
    7.0860    6.5488   -5.6286 H   0  0  0  0  0
    9.5015    4.7059   -5.2163 H   0  0  0  0  0
    8.7265    5.1651   -6.7300 H   0  0  0  0  0
    9.4165    5.1790   -3.0418 H   0  0  0  0  0
    7.7668    4.6767   -2.6406 H   0  0  0  0  0
    7.0231    7.3313   -1.6699 H   0  0  0  0  0
    8.7397    6.3129    1.4756 H   0  0  0  0  0
    9.8221    7.8125    6.8246 H   0  0  0  0  0
   10.3505    5.1106    6.7613 H   0  0  0  0  0
   11.2415    4.9090    5.2404 H   0  0  0  0  0
    9.6138    4.2201    5.4214 H   0  0  0  0  0
    9.0403   10.2644    5.9429 H   0  0  0  0  0
    7.4981    9.9900    5.1256 H   0  0  0  0  0
    8.9575   10.4266    4.1938 H   0  0  0  0  0
    5.4157   11.3093    3.4022 H   0  0  0  0  0
    4.2416   13.4293    2.1323 H   0  0  0  0  0
    4.1331   12.5563   -1.6086 H   0  0  0  0  0
    5.5554   13.5820   -1.3335 H   0  0  0  0  0
    3.9915   14.0272   -0.6294 H   0  0  0  0  0
  1  2  1  0  0  0
  1 32  1  0  0  0
  1 33  1  0  0  0
  1 34  1  0  0  0
  2  3  1  0  0  0
  2 35  1  0  0  0
  2 36  1  0  0  0
  3  8  1  0  0  0
  3  4  1  0  0  0
  4  5  1  0  0  0
  4 37  1  0  0  0
  4 38  1  0  0  0
  5  6  1  0  0  0
  5 39  1  0  0  0
  5 40  1  0  0  0
  6  7  1  0  0  0
  6  9  1  0  0  0
  7  8  1  0  0  0
  7 41  1  0  0  0
  7 42  1  0  0  0
  8 43  1  0  0  0
  8 44  1  0  0  0
  9 10  1  0  0  0
  9 45  1  0  0  0
  9 46  1  0  0  0
 10 12  1  0  0  0
 10 11  2  0  0  0
 12 13  1  0  0  0
 12 47  1  0  0  0
 13 18  1  0  0  0
 13 14  2  0  0  0
 14 15  1  0  0  0
 15 16  2  0  0  0
 15 26  1  0  0  0
 16 17  1  0  0  0
 17 18  2  0  0  0
 17 19  1  0  0  0
 18 48  1  0  0  0
 19 20  1  0  0  0
 19 23  1  0  0  0
 20 21  2  0  0  0
 20 25  1  0  0  0
 21 22  1  0  0  0
 21 49  1  0  0  0
 22 23  2  0  0  0
 22 24  1  0  0  0
 24 50  1  0  0  0
 24 51  1  0  0  0
 24 52  1  0  0  0
 25 53  1  0  0  0
 25 54  1  0  0  0
 25 55  1  0  0  0
 26 27  2  0  0  0
 26 30  1  0  0  0
 27 28  1  0  0  0
 27 56  1  0  0  0
 28 29  2  0  0  0
 28 57  1  0  0  0
 29 30  1  0  0  0
 29 31  1  0  0  0
 31 58  1  0  0  0
 31 59  1  0  0  0
 31 60  1  0  0  0
M  END

>  <Chemical Name>
Pyrimidin-4-ylacetamide, 6

>  <PubChem CID>
24768414

>  <Formula>
C22H29N7O2

>  <Molecular Weight>
423.521000

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

>  <XlogP>
2.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CCN1CCN(CC1)CC(=O)NC2=NC(=NC(=C2)N3C(=CC(=N3)C)C)C4=CC=C(O4)C

>  <Isomeric SMILES>
CCN1CCN(CC1)CC(=O)NC2=NC(=NC(=C2)N3C(=CC(=N3)C)C)C4=CC=C(O4)C

>  <InChI Std. ID>
InChI=1S/C22H29N7O2/c1-5-27-8-10-28(11-9-27)14-21(30)23-19-13-20(29-16(3)12-15(2)26-29)25-22(24-19)18-7-6-17(4)31-18/h6-7,12-13H,5,8-11,14H2,1-4H3,(H,23,24,25,30)

>  <InChI Key>
ADUMYZLFDDEFPS-UHFFFAOYSA-N

