
 CHEMBL494585

 42 43  0  0  0  0  0  0  0  0999 V2000
    0.6283    0.0601   -0.0350 C   0  0  0  0  0
    2.1677   -0.0145    0.0718 C   0  0  0  0  0
    2.5135   -0.6914    1.4127 C   0  0  0  0  0
    2.6794   -0.8829   -1.0934 C   0  0  0  0  0
    2.8056    1.3778    0.0104 C   0  0  0  0  0
    1.9858    2.4420   -0.1136 N   0  0  0  0  0
    2.5440    3.6525   -0.1690 C   0  0  0  0  0
    3.8509    3.8969   -0.0671 N   0  0  0  0  0
    4.6716    2.8381    0.0626 C   0  0  0  0  0
    4.1791    1.5440    0.0916 C   0  0  0  0  0
    6.1708    3.0845    0.1768 C   0  0  0  0  0
    6.6007    4.5334   -0.1221 C   0  0  0  0  0
    6.3282    5.4922    1.0439 C   0  0  0  0  0
    6.8557    5.0364    2.3362 N   0  0  0  0  0
    6.4043    3.6760    2.6423 C   0  0  0  0  0
    6.7246    2.6565    1.5466 C   0  0  0  0  0
    8.3040    5.1885    2.4345 C   0  0  0  0  0
    1.7005    4.7391   -0.2792 N   0  0  0  0  0
    0.3128    0.5181   -0.9800 H   0  0  0  0  0
    0.1967    0.6502    0.7824 H   0  0  0  0  0
    0.1795   -0.9392    0.0108 H   0  0  0  0  0
    2.1814   -0.0816    2.2613 H   0  0  0  0  0
    3.5915   -0.8523    1.5265 H   0  0  0  0  0
    2.0300   -1.6718    1.4965 H   0  0  0  0  0
    2.4692   -0.4112   -2.0606 H   0  0  0  0  0
    2.1999   -1.8687   -1.0911 H   0  0  0  0  0
    3.7609   -1.0502   -1.0378 H   0  0  0  0  0
    4.8476    0.6973    0.1836 H   0  0  0  0  0
    6.6339    2.4505   -0.5924 H   0  0  0  0  0
    6.1101    4.9077   -1.0292 H   0  0  0  0  0
    7.6771    4.5392   -0.3385 H   0  0  0  0  0
    6.7344    6.4823    0.8014 H   0  0  0  0  0
    5.2497    5.6516    1.1543 H   0  0  0  0  0
    6.8403    3.3409    3.5919 H   0  0  0  0  0
    5.3203    3.6968    2.8142 H   0  0  0  0  0
    7.8128    2.5398    1.4668 H   0  0  0  0  0
    6.3411    1.6743    1.8457 H   0  0  0  0  0
    8.6519    4.9007    3.4331 H   0  0  0  0  0
    8.5862    6.2389    2.3005 H   0  0  0  0  0
    8.8542    4.5938    1.6987 H   0  0  0  0  0
    2.1512    5.5464    0.1280 H   0  0  0  0  0
    0.7924    4.4865    0.0839 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  5  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  3 22  1  0  0  0
  3 23  1  0  0  0
  3 24  1  0  0  0
  4 25  1  0  0  0
  4 26  1  0  0  0
  4 27  1  0  0  0
  5 10  1  0  0  0
  5  6  2  0  0  0
  6  7  1  0  0  0
  7  8  2  0  0  0
  7 18  1  0  0  0
  8  9  1  0  0  0
  9 10  2  0  0  0
  9 11  1  0  0  0
 10 28  1  0  0  0
 11 16  1  0  0  0
 11 12  1  0  0  0
 11 29  1  0  0  0
 12 13  1  0  0  0
 12 30  1  0  0  0
 12 31  1  0  0  0
 13 14  1  0  0  0
 13 32  1  0  0  0
 13 33  1  0  0  0
 14 15  1  0  0  0
 14 17  1  0  0  0
 15 16  1  0  0  0
 15 34  1  0  0  0
 15 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>
CHEMBL494585

>  <PubChem CID>
25128825

>  <Formula>
C14H24N4

>  <Molecular Weight>
248.374000

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

>  <XlogP>
2.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC(C)(C)C1=NC(=NC(=C1)C2CCN(CC2)C)N

>  <Isomeric SMILES>
CC(C)(C)C1=NC(=NC(=C1)C2CCN(CC2)C)N

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

>  <InChI Key>
ITSHNBQAFUWYQA-UHFFFAOYSA-N

