
 CHEMBL494687

 42 43  0  0  0  0  0  0  0  0999 V2000
    0.2778    0.7230   -1.1347 C   0  0  0  0  0
    0.9486   -0.5809   -0.6954 C   0  0  0  0  0
    0.7977   -1.6846   -1.7529 C   0  0  0  0  0
    1.6979   -1.4668   -2.9719 C   0  0  0  0  0
    3.0932   -1.2995   -2.5331 N   0  0  0  0  0
    3.2881   -0.1648   -1.6160 C   0  0  0  0  0
    2.4340   -0.3749   -0.3632 C   0  0  0  0  0
    3.9579   -1.2269   -3.6550 C   0  0  0  0  0
    4.4657   -0.0482   -4.0474 N   0  0  0  0  0
    5.2738   -0.0536   -5.1068 C   0  0  0  0  0
    5.5969   -1.1315   -5.8239 N   0  0  0  0  0
    5.1015   -2.3189   -5.4225 C   0  0  0  0  0
    4.2624   -2.3995   -4.3253 C   0  0  0  0  0
    5.5026   -3.5698   -6.2107 C   0  0  0  0  0
    6.4200   -3.2197   -7.4035 C   0  0  0  0  0
    6.2703   -4.5431   -5.2953 C   0  0  0  0  0
    4.2483   -4.2679   -6.7716 C   0  0  0  0  0
    5.7634    1.1628   -5.5414 N   0  0  0  0  0
    0.3696    1.4844   -0.3527 H   0  0  0  0  0
   -0.7901    0.5626   -1.3179 H   0  0  0  0  0
    0.7147    1.1311   -2.0507 H   0  0  0  0  0
    0.4378   -0.9119    0.2180 H   0  0  0  0  0
   -0.2473   -1.7658   -2.0745 H   0  0  0  0  0
    1.0601   -2.6459   -1.2915 H   0  0  0  0  0
    1.5926   -2.3412   -3.6264 H   0  0  0  0  0
    1.3624   -0.5905   -3.5417 H   0  0  0  0  0
    4.3395   -0.1062   -1.3058 H   0  0  0  0  0
    3.0237    0.7884   -2.0910 H   0  0  0  0  0
    2.7994   -1.2635    0.1687 H   0  0  0  0  0
    2.5598    0.4742    0.3186 H   0  0  0  0  0
    3.8654   -3.3431   -3.9749 H   0  0  0  0  0
    5.9240   -2.5381   -8.1048 H   0  0  0  0  0
    6.7012   -4.1191   -7.9638 H   0  0  0  0  0
    7.3474   -2.7389   -7.0700 H   0  0  0  0  0
    5.6526   -4.8979   -4.4627 H   0  0  0  0  0
    7.1580   -4.0646   -4.8647 H   0  0  0  0  0
    6.6039   -5.4274   -5.8505 H   0  0  0  0  0
    3.5838   -4.6221   -5.9757 H   0  0  0  0  0
    4.5198   -5.1403   -7.3772 H   0  0  0  0  0
    3.6677   -3.5881   -7.4064 H   0  0  0  0  0
    5.9682    1.0988   -6.5287 H   0  0  0  0  0
    5.1348    1.8955   -5.2448 H   0  0  0  0  0
  1  2  1  0  0  0
  1 19  1  0  0  0
  1 20  1  0  0  0
  1 21  1  0  0  0
  2  7  1  0  0  0
  2  3  1  0  0  0
  2 22  1  0  0  0
  3  4  1  0  0  0
  3 23  1  0  0  0
  3 24  1  0  0  0
  4  5  1  0  0  0
  4 25  1  0  0  0
  4 26  1  0  0  0
  5  6  1  0  0  0
  5  8  1  0  0  0
  6  7  1  0  0  0
  6 27  1  0  0  0
  6 28  1  0  0  0
  7 29  1  0  0  0
  7 30  1  0  0  0
  8 13  1  0  0  0
  8  9  2  0  0  0
  9 10  1  0  0  0
 10 11  2  0  0  0
 10 18  1  0  0  0
 11 12  1  0  0  0
 12 13  2  0  0  0
 12 14  1  0  0  0
 13 31  1  0  0  0
 14 17  1  0  0  0
 14 16  1  0  0  0
 14 15  1  0  0  0
 15 32  1  0  0  0
 15 33  1  0  0  0
 15 34  1  0  0  0
 16 35  1  0  0  0
 16 36  1  0  0  0
 16 37  1  0  0  0
 17 38  1  0  0  0
 17 39  1  0  0  0
 17 40  1  0  0  0
 18 41  1  0  0  0
 18 42  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL494687

>  <PubChem CID>
25130575

>  <Formula>
C14H24N4

>  <Molecular Weight>
248.374000

>  <IUPAC Name>
4-tert-butyl-6-(4-methylpiperidin-1-yl)pyrimidin-2-amine

>  <XlogP>
3.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1CCN(CC1)C2=NC(=NC(=C2)C(C)(C)C)N

>  <Isomeric SMILES>
CC1CCN(CC1)C2=NC(=NC(=C2)C(C)(C)C)N

>  <InChI Std. ID>
InChI=1S/C14H24N4/c1-10-5-7-18(8-6-10)12-9-11(14(2,3)4)16-13(15)17-12/h9-10H,5-8H2,1-4H3,(H2,15,16,17)

>  <InChI Key>
AUYSMMGFRDWJKL-UHFFFAOYSA-N

