
 CHEMBL1770975

 47 48  0  0  0  0  0  0  0  0999 V2000
    3.4473   -0.9310    1.0529 C   0  0  0  0  0
    4.1566   -0.6243   -0.2764 C   0  0  0  0  0
    5.0007   -1.8521   -0.6727 C   0  0  0  0  0
    3.1096   -0.3754   -1.3759 C   0  0  0  0  0
    5.1082    0.5905   -0.1344 C   0  0  0  0  0
    4.3768    1.8230    0.1654 N   0  0  0  0  0
    5.1939    2.9719    0.2111 C   0  0  0  0  0
    4.5804    4.2046    0.4491 C   0  0  0  0  0
    5.3278    5.3847    0.4855 C   0  0  0  0  0
    6.7043    5.2392    0.2968 C   0  0  0  0  0
    7.2472    3.9864    0.0470 C   0  0  0  0  0
    6.5185    2.8674    0.0031 N   0  0  0  0  0
    8.6205    3.8351   -0.1547 N   0  0  0  0  0
    4.7493    6.6132    0.7170 N   0  0  0  0  0
    3.3151    6.8804    0.5892 C   0  0  0  0  0
    3.2245    8.3949    0.3861 C   0  0  0  0  0
    4.4446    8.9235    1.1398 C   0  0  0  0  0
    5.5069    7.8637    0.7808 C   0  0  0  0  0
    4.7527   10.3075    0.7616 N   0  0  0  0  0
    5.9431   10.8059    1.4390 C   0  0  0  0  0
    2.7908   -0.1109    1.3637 H   0  0  0  0  0
    4.1727   -1.1032    1.8559 H   0  0  0  0  0
    2.8258   -1.8292    0.9690 H   0  0  0  0  0
    5.7559   -2.0757    0.0897 H   0  0  0  0  0
    5.5243   -1.6839   -1.6205 H   0  0  0  0  0
    4.3744   -2.7429   -0.7928 H   0  0  0  0  0
    2.4670    0.4778   -1.1378 H   0  0  0  0  0
    2.4594   -1.2485   -1.5050 H   0  0  0  0  0
    3.5908   -0.1741   -2.3399 H   0  0  0  0  0
    5.6563    0.7104   -1.0799 H   0  0  0  0  0
    5.8421    0.3875    0.6562 H   0  0  0  0  0
    3.8664    1.7704    1.0418 H   0  0  0  0  0
    3.5062    4.2245    0.5971 H   0  0  0  0  0
    7.3708    6.0916    0.3305 H   0  0  0  0  0
    8.7654    2.8495   -0.3613 H   0  0  0  0  0
    8.9365    4.4228   -0.9176 H   0  0  0  0  0
    2.7988    6.5823    1.5089 H   0  0  0  0  0
    2.8599    6.3638   -0.2628 H   0  0  0  0  0
    3.2973    8.6269   -0.6844 H   0  0  0  0  0
    2.2801    8.8057    0.7570 H   0  0  0  0  0
    4.2335    8.8752    2.2172 H   0  0  0  0  0
    5.9609    8.0802   -0.1946 H   0  0  0  0  0
    6.2885    7.8310    1.5477 H   0  0  0  0  0
    3.9587   10.9045    0.9947 H   0  0  0  0  0
    6.8349   10.2407    1.1528 H   0  0  0  0  0
    5.8305   10.7709    2.5280 H   0  0  0  0  0
    6.1164   11.8460    1.1507 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  5  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  3 24  1  0  0  0
  3 25  1  0  0  0
  3 26  1  0  0  0
  4 27  1  0  0  0
  4 28  1  0  0  0
  4 29  1  0  0  0
  5  6  1  0  0  0
  5 30  1  0  0  0
  5 31  1  0  0  0
  6  7  1  0  0  0
  6 32  1  0  0  0
  7 12  1  0  0  0
  7  8  2  0  0  0
  8  9  1  0  0  0
  8 33  1  0  0  0
  9 10  2  0  0  0
  9 14  1  0  0  0
 10 11  1  0  0  0
 10 34  1  0  0  0
 11 12  2  0  0  0
 11 13  1  0  0  0
 13 35  1  0  0  0
 13 36  1  0  0  0
 14 18  1  0  0  0
 14 15  1  0  0  0
 15 16  1  0  0  0
 15 37  1  0  0  0
 15 38  1  0  0  0
 16 17  1  0  0  0
 16 39  1  0  0  0
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 17 18  1  0  0  0
 17 19  1  0  0  0
 17 41  1  0  0  0
 18 42  1  0  0  0
 18 43  1  0  0  0
 19 20  1  0  0  0
 19 44  1  0  0  0
 20 45  1  0  0  0
 20 46  1  0  0  0
 20 47  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1770975

>  <PubChem CID>
54587788

>  <Formula>
C15H27N5

>  <Molecular Weight>
277.416000

>  <IUPAC Name>
6-N-(2,2-dimethylpropyl)-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridine-2,6-diamine

>  <XlogP>
2.4

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC(C)(C)CNC1=CC(=CC(=N1)N)N2CCC(C2)NC

>  <Isomeric SMILES>
CC(C)(C)CNC1=CC(=CC(=N1)N)N2CC[C@H](C2)NC

>  <InChI Std. ID>
InChI=1S/C15H27N5/c1-15(2,3)10-18-14-8-12(7-13(16)19-14)20-6-5-11(9-20)17-4/h7-8,11,17H,5-6,9-10H2,1-4H3,(H3,16,18,19)/t11-/m1/s1

>  <InChI Key>
BEYCZAXPXQZGCU-LLVKDONJSA-N

