
 CHEMBL492489

 43 44  0  0  0  0  0  0  0  0999 V2000
    3.6810   -1.4848    0.0175 C   0  0  0  0  0
    2.2240   -0.9778   -0.0674 C   0  0  0  0  0
    1.6756   -1.3518   -1.4581 C   0  0  0  0  0
    1.4088   -1.7012    1.0221 C   0  0  0  0  0
    2.1433    0.5379    0.1403 C   0  0  0  0  0
    0.9325    1.2076    0.0836 C   0  0  0  0  0
    0.9292    2.5760    0.3049 C   0  0  0  0  0
    2.0598    3.2423    0.5743 N   0  0  0  0  0
    3.1899    2.5277    0.5958 C   0  0  0  0  0
    3.2865    1.2047    0.3891 N   0  0  0  0  0
    4.3278    3.2652    0.8470 O   0  0  0  0  0
    5.5147    2.4857    0.7975 C   0  0  0  0  0
   -0.3075    3.2576    0.2415 N   0  0  0  0  0
   -0.7100    3.4737   -1.1655 C   0  0  0  0  0
   -2.0785    4.1963   -1.2314 C   0  0  0  0  0
   -2.1814    5.4491   -0.4490 N   0  0  0  0  0
   -1.6903    5.1973    0.9273 C   0  0  0  0  0
   -0.3026    4.5163    1.0174 C   0  0  0  0  0
   -1.4476    6.5414   -1.0854 C   0  0  0  0  0
    4.1256   -1.2688    0.9964 H   0  0  0  0  0
    4.3138   -1.0177   -0.7466 H   0  0  0  0  0
    3.7318   -2.5695   -0.1326 H   0  0  0  0  0
    2.2213   -0.8288   -2.2524 H   0  0  0  0  0
    0.6154   -1.0961   -1.5649 H   0  0  0  0  0
    1.7679   -2.4284   -1.6423 H   0  0  0  0  0
    1.7660   -1.4371    2.0246 H   0  0  0  0  0
    1.4863   -2.7894    0.9159 H   0  0  0  0  0
    0.3440   -1.4467    0.9757 H   0  0  0  0  0
    0.0004    0.6893   -0.1025 H   0  0  0  0  0
    6.3607    3.1532    0.9884 H   0  0  0  0  0
    5.6614    2.0427   -0.1942 H   0  0  0  0  0
    5.5187    1.7154    1.5768 H   0  0  0  0  0
   -0.8091    2.5152   -1.6900 H   0  0  0  0  0
    0.0481    4.0651   -1.6958 H   0  0  0  0  0
   -2.3424    4.3853   -2.2793 H   0  0  0  0  0
   -2.8472    3.5088   -0.8533 H   0  0  0  0  0
   -1.6796    6.1336    1.4987 H   0  0  0  0  0
   -2.4260    4.5531    1.4275 H   0  0  0  0  0
    0.4656    5.2107    0.6538 H   0  0  0  0  0
   -0.0929    4.3005    2.0727 H   0  0  0  0  0
   -1.5672    7.4653   -0.5087 H   0  0  0  0  0
   -1.8562    6.7427   -2.0818 H   0  0  0  0  0
   -0.3766    6.3437   -1.1925 H   0  0  0  0  0
  1  2  1  0  0  0
  1 20  1  0  0  0
  1 21  1  0  0  0
  1 22  1  0  0  0
  2  5  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  3 23  1  0  0  0
  3 24  1  0  0  0
  3 25  1  0  0  0
  4 26  1  0  0  0
  4 27  1  0  0  0
  4 28  1  0  0  0
  5 10  1  0  0  0
  5  6  2  0  0  0
  6  7  1  0  0  0
  6 29  1  0  0  0
  7  8  2  0  0  0
  7 13  1  0  0  0
  8  9  1  0  0  0
  9 10  2  0  0  0
  9 11  1  0  0  0
 11 12  1  0  0  0
 12 30  1  0  0  0
 12 31  1  0  0  0
 12 32  1  0  0  0
 13 18  1  0  0  0
 13 14  1  0  0  0
 14 15  1  0  0  0
 14 33  1  0  0  0
 14 34  1  0  0  0
 15 16  1  0  0  0
 15 35  1  0  0  0
 15 36  1  0  0  0
 16 17  1  0  0  0
 16 19  1  0  0  0
 17 18  1  0  0  0
 17 37  1  0  0  0
 17 38  1  0  0  0
 18 39  1  0  0  0
 18 40  1  0  0  0
 19 41  1  0  0  0
 19 42  1  0  0  0
 19 43  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL492489

>  <PubChem CID>
25130581

>  <Formula>
C14H24N4O

>  <Molecular Weight>
264.373000

>  <IUPAC Name>
4-tert-butyl-2-methoxy-6-(4-methylpiperazin-1-yl)pyrimidine

>  <XlogP>
2.5

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC(C)(C)C1=CC(=NC(=N1)OC)N2CCN(CC2)C

>  <Isomeric SMILES>
CC(C)(C)C1=CC(=NC(=N1)OC)N2CCN(CC2)C

>  <InChI Std. ID>
InChI=1S/C14H24N4O/c1-14(2,3)11-10-12(16-13(15-11)19-5)18-8-6-17(4)7-9-18/h10H,6-9H2,1-5H3

>  <InChI Key>
IQEBZALLHQOKLO-UHFFFAOYSA-N

