
 JNJ-39758979

 35 36  0  0  0  0  0  0  0  0999 V2000
    3.5070   -0.9336   -0.9886 C   0  0  0  0  0
    2.6536   -0.2698    0.0931 C   0  0  0  0  0
    3.0217   -0.7993    1.4797 C   0  0  0  0  0
    2.7887    1.2387    0.0456 C   0  0  0  0  0
    1.6711    2.0344   -0.1205 C   0  0  0  0  0
    1.8505    3.4050   -0.1382 C   0  0  0  0  0
    3.0767    3.9321    0.0261 N   0  0  0  0  0
    4.1024    3.0951    0.1959 C   0  0  0  0  0
    4.0184    1.7650    0.1916 N   0  0  0  0  0
    5.3627    3.6466    0.3233 N   0  0  0  0  0
    0.7832    4.2619   -0.2875 N   0  0  0  0  0
   -0.4331    3.9131   -1.0159 C   0  0  0  0  0
   -0.9205    5.2399   -1.6017 C   0  0  0  0  0
   -0.3939    6.2723   -0.6081 C   0  0  0  0  0
    1.0051    5.7055   -0.2809 C   0  0  0  0  0
   -0.4295    7.6278   -1.1530 N   0  0  0  0  0
    3.2355   -0.5625   -1.9832 H   0  0  0  0  0
    3.3598   -2.0191   -0.9838 H   0  0  0  0  0
    4.5753   -0.7400   -0.8408 H   0  0  0  0  0
    1.6080   -0.5420   -0.1010 H   0  0  0  0  0
    4.0688   -0.5928    1.7284 H   0  0  0  0  0
    2.8712   -1.8829    1.5323 H   0  0  0  0  0
    2.3988   -0.3361    2.2534 H   0  0  0  0  0
    0.6876    1.5944   -0.2113 H   0  0  0  0  0
    6.0471    2.9718    0.0119 H   0  0  0  0  0
    5.3710    4.5536   -0.1203 H   0  0  0  0  0
   -1.1727    3.5019   -0.3201 H   0  0  0  0  0
   -0.2615    3.1911   -1.8220 H   0  0  0  0  0
   -0.4733    5.3882   -2.5934 H   0  0  0  0  0
   -2.0087    5.2672   -1.7142 H   0  0  0  0  0
   -1.0144    6.2432    0.2970 H   0  0  0  0  0
    1.7269    5.9921   -1.0566 H   0  0  0  0  0
    1.3570    6.0674    0.6915 H   0  0  0  0  0
    0.1581    7.6805   -1.9851 H   0  0  0  0  0
   -0.0152    8.2722   -0.4794 H   0  0  0  0  0
  1  2  1  0  0  0
  1 17  1  0  0  0
  1 18  1  0  0  0
  1 19  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  2 20  1  0  0  0
  3 21  1  0  0  0
  3 22  1  0  0  0
  3 23  1  0  0  0
  4  9  1  0  0  0
  4  5  2  0  0  0
  5  6  1  0  0  0
  5 24  1  0  0  0
  6  7  2  0  0  0
  6 11  1  0  0  0
  7  8  1  0  0  0
  8  9  2  0  0  0
  8 10  1  0  0  0
 10 25  1  0  0  0
 10 26  1  0  0  0
 11 15  1  0  0  0
 11 12  1  0  0  0
 12 13  1  0  0  0
 12 27  1  0  0  0
 12 28  1  0  0  0
 13 14  1  0  0  0
 13 29  1  0  0  0
 13 30  1  0  0  0
 14 15  1  0  0  0
 14 16  1  0  0  0
 14 31  1  0  0  0
 15 32  1  0  0  0
 15 33  1  0  0  0
 16 34  1  0  0  0
 16 35  1  0  0  0
M  END

>  <Chemical Name>
JNJ-39758979

>  <PubChem CID>
24994634

>  <Formula>
C11H19N5

>  <Molecular Weight>
221.308000

>  <IUPAC Name>
4-[(3R)-3-aminopyrrolidin-1-yl]-6-propan-2-ylpyrimidin-2-amine

>  <XlogP>
0.7

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC(C)C1=CC(=NC(=N1)N)N2CCC(C2)N

>  <Isomeric SMILES>
CC(C)C1=CC(=NC(=N1)N)N2CC[C@H](C2)N

>  <InChI Std. ID>
InChI=1S/C11H19N5/c1-7(2)9-5-10(15-11(13)14-9)16-4-3-8(12)6-16/h5,7-8H,3-4,6,12H2,1-2H3,(H2,13,14,15)/t8-/m1/s1

>  <InChI Key>
COOGVHJHSCBOQT-MRVPVSSYSA-N

