
 CHEMBL319356

 25 26  0  0  0  0  0  0  0  0999 V2000
    0.9015    0.0273   -0.1007 C   0  0  0  0  0
    2.3870   -0.0449   -0.0373 C   0  0  0  0  0
    3.2405    1.0527    0.0168 C   0  0  0  0  0
    4.5287    0.5784    0.0441 N   0  0  0  0  0
    4.5285   -0.7852    0.0100 C   0  0  0  0  0
    3.2146   -1.2226   -0.0339 C   0  0  0  0  0
    3.0430   -2.6162   -0.0705 C   0  0  0  0  0
    4.1332   -3.4112   -0.0657 N   0  0  0  0  0
    5.3610   -2.8496   -0.0242 C   0  0  0  0  0
    5.6390   -1.5344    0.0201 N   0  0  0  0  0
    6.5340   -3.7819   -0.0183 C   0  0  0  0  0
    1.8131   -3.2662   -0.0805 N   0  0  0  0  0
    2.9669    2.5132    0.0339 C   0  0  0  0  0
    0.4363   -0.9498   -0.2399 H   0  0  0  0  0
    0.5875    0.6591   -0.9386 H   0  0  0  0  0
    0.5054    0.4615    0.8237 H   0  0  0  0  0
    5.3706    1.1335    0.0774 H   0  0  0  0  0
    6.2080   -4.8264   -0.0042 H   0  0  0  0  0
    7.1497   -3.6006    0.8680 H   0  0  0  0  0
    7.1426   -3.6198   -0.9128 H   0  0  0  0  0
    1.9629   -4.2485    0.1246 H   0  0  0  0  0
    1.1215   -2.8135    0.5002 H   0  0  0  0  0
    1.8925    2.7201    0.0328 H   0  0  0  0  0
    3.4043    2.9940   -0.8470 H   0  0  0  0  0
    3.3974    2.9731    0.9292 H   0  0  0  0  0
  1  2  1  0  0  0
  1 14  1  0  0  0
  1 15  1  0  0  0
  1 16  1  0  0  0
  2  6  1  0  0  0
  2  3  2  0  0  0
  3  4  1  0  0  0
  3 13  1  0  0  0
  4  5  1  0  0  0
  4 17  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 12  1  0  0  0
  8  9  1  0  0  0
  9 10  2  0  0  0
  9 11  1  0  0  0
 11 18  1  0  0  0
 11 19  1  0  0  0
 11 20  1  0  0  0
 12 21  1  0  0  0
 12 22  1  0  0  0
 13 23  1  0  0  0
 13 24  1  0  0  0
 13 25  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL319356

>  <PubChem CID>
13803176

>  <Formula>
C9H12N4

>  <Molecular Weight>
176.223000

>  <IUPAC Name>
2,5,6-trimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

>  <XlogP>
1.5

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC1=C(NC2=C1C(=NC(=N2)C)N)C

>  <Isomeric SMILES>
CC1=C(NC2=C1C(=NC(=N2)C)N)C

>  <InChI Std. ID>
InChI=1S/C9H12N4/c1-4-5(2)11-9-7(4)8(10)12-6(3)13-9/h1-3H3,(H3,10,11,12,13)

>  <InChI Key>
ABYSHPMNLZCWGY-UHFFFAOYSA-N

