
 4-[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]morpholine

 43 45  0  0  0  0  0  0  0  0999 V2000
    0.6522   -1.2312    0.2064 C   0  0  0  0  0
    1.9992   -0.5766    0.2132 C   0  0  0  0  0
    2.1062    0.7964    0.1912 C   0  0  0  0  0
    3.3785    1.3318    0.1848 C   0  0  0  0  0
    4.4546    0.5276    0.2499 N   0  0  0  0  0
    4.2880   -0.8055    0.2791 C   0  0  0  0  0
    3.0764   -1.3791    0.2438 N   0  0  0  0  0
    5.4237   -1.6214    0.3123 N   0  0  0  0  0
    5.1531   -2.9960    0.7633 C   0  0  0  0  0
    6.4412   -3.8316    0.7038 C   0  0  0  0  0
    7.5025   -3.2211    1.4544 O   0  0  0  0  0
    7.7944   -1.9211    0.9176 C   0  0  0  0  0
    6.5724   -0.9922    0.9812 C   0  0  0  0  0
    3.5538    2.7341    0.1513 N   0  0  0  0  0
    2.8899    3.3818   -1.0007 C   0  0  0  0  0
    3.0962    4.9164   -0.9709 C   0  0  0  0  0
    4.4971    5.3713   -0.8438 N   0  0  0  0  0
    5.1142    4.6752    0.3079 C   0  0  0  0  0
    4.9703    3.1350    0.3059 C   0  0  0  0  0
    5.2500    5.1454   -2.0761 C   0  0  0  0  0
    0.7480   -2.3216    0.2208 H   0  0  0  0  0
    0.0999   -0.9507   -0.6960 H   0  0  0  0  0
    0.0786   -0.9279    1.0878 H   0  0  0  0  0
    1.2243    1.4212    0.1987 H   0  0  0  0  0
    4.4037   -3.4853    0.1298 H   0  0  0  0  0
    4.7869   -2.9795    1.7984 H   0  0  0  0  0
    6.2600   -4.8230    1.1298 H   0  0  0  0  0
    6.7723   -3.9699   -0.3330 H   0  0  0  0  0
    8.6140   -1.4962    1.5058 H   0  0  0  0  0
    8.1492   -2.0341   -0.1141 H   0  0  0  0  0
    6.3244   -0.8002    2.0333 H   0  0  0  0  0
    6.8470   -0.0429    0.5056 H   0  0  0  0  0
    1.8089    3.2031   -0.9845 H   0  0  0  0  0
    3.2796    2.9715   -1.9412 H   0  0  0  0  0
    2.6365    5.3642   -1.8609 H   0  0  0  0  0
    2.5378    5.3219   -0.1163 H   0  0  0  0  0
    6.1752    4.9439    0.3817 H   0  0  0  0  0
    4.6466    5.0658    1.2216 H   0  0  0  0  0
    5.5838    2.7172   -0.5032 H   0  0  0  0  0
    5.3643    2.7610    1.2597 H   0  0  0  0  0
    6.2736    5.5210   -1.9701 H   0  0  0  0  0
    4.7981    5.7035   -2.9036 H   0  0  0  0  0
    5.3038    4.0923   -2.3688 H   0  0  0  0  0
  1  2  1  0  0  0
  1 21  1  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
  2  7  1  0  0  0
  2  3  2  0  0  0
  3  4  1  0  0  0
  3 24  1  0  0  0
  4  5  2  0  0  0
  4 14  1  0  0  0
  5  6  1  0  0  0
  6  7  2  0  0  0
  6  8  1  0  0  0
  8 13  1  0  0  0
  8  9  1  0  0  0
  9 10  1  0  0  0
  9 25  1  0  0  0
  9 26  1  0  0  0
 10 11  1  0  0  0
 10 27  1  0  0  0
 10 28  1  0  0  0
 11 12  1  0  0  0
 12 13  1  0  0  0
 12 29  1  0  0  0
 12 30  1  0  0  0
 13 31  1  0  0  0
 13 32  1  0  0  0
 14 19  1  0  0  0
 14 15  1  0  0  0
 15 16  1  0  0  0
 15 33  1  0  0  0
 15 34  1  0  0  0
 16 17  1  0  0  0
 16 35  1  0  0  0
 16 36  1  0  0  0
 17 18  1  0  0  0
 17 20  1  0  0  0
 18 19  1  0  0  0
 18 37  1  0  0  0
 18 38  1  0  0  0
 19 39  1  0  0  0
 19 40  1  0  0  0
 20 41  1  0  0  0
 20 42  1  0  0  0
 20 43  1  0  0  0
M  END

>  <Chemical Name>
4-[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]morpholine

>  <PubChem CID>
647957

>  <Formula>
C14H23N5O

>  <Molecular Weight>
277.372000

>  <IUPAC Name>
4-[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]morpholine

>  <XlogP>
1.0

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC1=CC(=NC(=N1)N2CCOCC2)N3CCN(CC3)C

>  <Isomeric SMILES>
CC1=CC(=NC(=N1)N2CCOCC2)N3CCN(CC3)C

>  <InChI Std. ID>
InChI=1S/C14H23N5O/c1-12-11-13(18-5-3-17(2)4-6-18)16-14(15-12)19-7-9-20-10-8-19/h11H,3-10H2,1-2H3

>  <InChI Key>
BMBIEKJDTGAZCY-UHFFFAOYSA-N

