
 CHEMBL3236569

 32 33  0  0  0  0  0  0  0  0999 V2000
    2.8774   -0.9151    1.4642 C   0  0  0  0  0
    3.0305   -0.3201    0.0739 C   0  0  0  0  0
    3.0087    1.1844    0.1025 C   0  0  0  0  0
    1.8204    1.8764   -0.0298 C   0  0  0  0  0
    1.8756    3.2570   -0.0142 C   0  0  0  0  0
    3.0497    3.8873    0.1715 N   0  0  0  0  0
    4.1466    3.1418    0.3244 C   0  0  0  0  0
    4.1852    1.8118    0.2744 N   0  0  0  0  0
    5.3504    3.8034    0.4773 N   0  0  0  0  0
    0.7372    4.0233   -0.1589 N   0  0  0  0  0
   -0.4380    3.5757   -0.9019 C   0  0  0  0  0
   -0.9782    4.8441   -1.5645 C   0  0  0  0  0
   -0.5520    5.9481   -0.6011 C   0  0  0  0  0
    0.8624    5.4805   -0.1946 C   0  0  0  0  0
   -0.6395    7.2723   -1.2139 N   0  0  0  0  0
    2.9033   -2.0085    1.4121 H   0  0  0  0  0
    1.9268   -0.6196    1.9215 H   0  0  0  0  0
    3.6857   -0.5876    2.1273 H   0  0  0  0  0
    2.2364   -0.6931   -0.5832 H   0  0  0  0  0
    3.9783   -0.6558   -0.3636 H   0  0  0  0  0
    0.8837    1.3465   -0.1356 H   0  0  0  0  0
    6.0951    3.2036    0.1510 H   0  0  0  0  0
    5.2768    4.7199    0.0611 H   0  0  0  0  0
   -1.1733    3.1604   -0.2043 H   0  0  0  0  0
   -0.2116    2.8263   -1.6679 H   0  0  0  0  0
   -0.5021    4.9749   -2.5453 H   0  0  0  0  0
   -2.0611    4.8019   -1.7178 H   0  0  0  0  0
   -1.2062    5.9254    0.2798 H   0  0  0  0  0
    1.5967    5.7916   -0.9496 H   0  0  0  0  0
    1.1489    5.8952    0.7785 H   0  0  0  0  0
   -0.0295    7.3148   -2.0306 H   0  0  0  0  0
   -0.2788    7.9695   -0.5626 H   0  0  0  0  0
  1  2  1  0  0  0
  1 16  1  0  0  0
  1 17  1  0  0  0
  1 18  1  0  0  0
  2  3  1  0  0  0
  2 19  1  0  0  0
  2 20  1  0  0  0
  3  8  1  0  0  0
  3  4  2  0  0  0
  4  5  1  0  0  0
  4 21  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 22  1  0  0  0
  9 23  1  0  0  0
 10 14  1  0  0  0
 10 11  1  0  0  0
 11 12  1  0  0  0
 11 24  1  0  0  0
 11 25  1  0  0  0
 12 13  1  0  0  0
 12 26  1  0  0  0
 12 27  1  0  0  0
 13 14  1  0  0  0
 13 15  1  0  0  0
 13 28  1  0  0  0
 14 29  1  0  0  0
 14 30  1  0  0  0
 15 31  1  0  0  0
 15 32  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3236569

>  <PubChem CID>
53258370

>  <Formula>
C10H17N5

>  <Molecular Weight>
207.281000

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

>  <XlogP>
0.4

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

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

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

>  <InChI Std. ID>
InChI=1S/C10H17N5/c1-2-8-5-9(14-10(12)13-8)15-4-3-7(11)6-15/h5,7H,2-4,6,11H2,1H3,(H2,12,13,14)/t7-/m1/s1

>  <InChI Key>
AZBCGUPNGHWKDL-SSDOTTSWSA-N

