
 CHEMBL3236568

 35 36  0  0  0  0  0  0  0  0999 V2000
    2.1137   -0.5832   -1.2163 C   0  0  0  0  0
    2.4489   -0.0376    0.1632 C   0  0  0  0  0
    2.8636    1.4082    0.0990 C   0  0  0  0  0
    1.9214    2.4167    0.1647 C   0  0  0  0  0
    2.3706    3.7210    0.0562 C   0  0  0  0  0
    3.6854    3.9765   -0.0624 N   0  0  0  0  0
    4.5289    2.9443   -0.1081 C   0  0  0  0  0
    4.1743    1.6606   -0.0614 N   0  0  0  0  0
    5.8682    3.2269   -0.2949 N   0  0  0  0  0
    1.4877    4.7884    0.0981 N   0  0  0  0  0
    0.1616    4.6942   -0.5133 C   0  0  0  0  0
   -0.0422    6.0378   -1.2147 C   0  0  0  0  0
    0.8035    7.0030   -0.3841 C   0  0  0  0  0
    2.0471    6.1327   -0.0979 C   0  0  0  0  0
    1.0284    8.2565   -1.1116 N   0  0  0  0  0
    1.8329    9.1967   -0.3424 C   0  0  0  0  0
    1.8318   -1.6386   -1.1484 H   0  0  0  0  0
    2.9713   -0.5033   -1.8933 H   0  0  0  0  0
    1.2783   -0.0370   -1.6679 H   0  0  0  0  0
    3.2648   -0.6265    0.5990 H   0  0  0  0  0
    1.5889   -0.1520    0.8332 H   0  0  0  0  0
    0.8742    2.1886    0.3021 H   0  0  0  0  0
    6.3049    2.4418   -0.7571 H   0  0  0  0  0
    5.9474    4.1287   -0.7436 H   0  0  0  0  0
   -0.5883    4.5536    0.2737 H   0  0  0  0  0
    0.0653    3.8790   -1.2400 H   0  0  0  0  0
    0.3383    5.9733   -2.2424 H   0  0  0  0  0
   -1.0970    6.3232   -1.2627 H   0  0  0  0  0
    0.2748    7.2083    0.5577 H   0  0  0  0  0
    2.7252    6.1611   -0.9603 H   0  0  0  0  0
    2.5793    6.4793    0.7939 H   0  0  0  0  0
    0.1299    8.6859   -1.3308 H   0  0  0  0  0
    2.8348    8.8033   -0.1452 H   0  0  0  0  0
    1.3527    9.4522    0.6072 H   0  0  0  0  0
    1.9561   10.1203   -0.9163 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  3  1  0  0  0
  2 20  1  0  0  0
  2 21  1  0  0  0
  3  8  1  0  0  0
  3  4  2  0  0  0
  4  5  1  0  0  0
  4 22  1  0  0  0
  5  6  2  0  0  0
  5 10  1  0  0  0
  6  7  1  0  0  0
  7  8  2  0  0  0
  7  9  1  0  0  0
  9 23  1  0  0  0
  9 24  1  0  0  0
 10 14  1  0  0  0
 10 11  1  0  0  0
 11 12  1  0  0  0
 11 25  1  0  0  0
 11 26  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 15  1  0  0  0
 13 29  1  0  0  0
 14 30  1  0  0  0
 14 31  1  0  0  0
 15 16  1  0  0  0
 15 32  1  0  0  0
 16 33  1  0  0  0
 16 34  1  0  0  0
 16 35  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3236568

>  <PubChem CID>
42624149

>  <Formula>
C11H19N5

>  <Molecular Weight>
221.308000

>  <IUPAC Name>
4-ethyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine

>  <XlogP>
0.9

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CCC1=CC(=NC(=N1)N)N2CCC(C2)NC

>  <Isomeric SMILES>
CCC1=CC(=NC(=N1)N)N2CC[C@H](C2)NC

>  <InChI Std. ID>
InChI=1S/C11H19N5/c1-3-8-6-10(15-11(12)14-8)16-5-4-9(7-16)13-2/h6,9,13H,3-5,7H2,1-2H3,(H2,12,14,15)/t9-/m1/s1

>  <InChI Key>
YTSCCHQLULFXJD-SECBINFHSA-N

