
 CHEMBL2376804

 38 41  0  0  0  0  0  0  0  0999 V2000
    0.0124    1.0754   -0.7357 C   0  0  0  0  0
    1.3772    1.2908   -0.2728 N   0  0  0  0  0
    1.3723    1.9138    1.0718 C   0  0  0  0  0
    2.8075    2.3818    1.4063 C   0  0  0  0  0
    2.4461    3.6702    0.8877 N   0  0  0  0  0
    1.0383    3.4167    0.9859 C   0  0  0  0  0
    3.1169    4.8950    1.1138 C   0  0  0  0  0
    4.3761    4.8134    1.6068 N   0  0  0  0  0
    5.0258    5.9525    1.8124 C   0  0  0  0  0
    4.5464    7.1607    1.5319 N   0  0  0  0  0
    3.3034    7.2250    1.0344 C   0  0  0  0  0
    2.4943    6.1125    0.7917 C   0  0  0  0  0
    1.2335    6.2364    0.2786 N   0  0  0  0  0
    0.7732    7.4724   -0.0056 C   0  0  0  0  0
    1.4935    8.6418    0.1836 C   0  0  0  0  0
    2.7739    8.4730    0.7268 C   0  0  0  0  0
    0.9227    9.9959   -0.1447 C   0  0  0  0  0
    1.6955   10.9621   -1.0116 C   0  0  0  0  0
    0.4689   10.2956   -1.5558 C   0  0  0  0  0
    6.3103    5.8749    2.3051 N   0  0  0  0  0
    0.0324    0.4868   -1.6580 H   0  0  0  0  0
   -0.4956    2.0186   -0.9603 H   0  0  0  0  0
   -0.5807    0.5205   -0.0019 H   0  0  0  0  0
    1.8804    1.8560   -0.9608 H   0  0  0  0  0
    0.8686    1.3402    1.8549 H   0  0  0  0  0
    3.6347    1.9121    0.8668 H   0  0  0  0  0
    3.0310    2.4127    2.4788 H   0  0  0  0  0
    0.6068    3.8277    1.9062 H   0  0  0  0  0
    0.4666    3.7591    0.1211 H   0  0  0  0  0
   -0.2353    7.4999   -0.4110 H   0  0  0  0  0
    3.3881    9.3523    0.9132 H   0  0  0  0  0
    0.3277   10.4467    0.6485 H   0  0  0  0  0
    2.6538   10.6596   -1.4189 H   0  0  0  0  0
    1.6354   12.0174   -0.7692 H   0  0  0  0  0
   -0.4232   10.8983   -1.6843 H   0  0  0  0  0
    0.6082    9.5476   -2.3289 H   0  0  0  0  0
    6.7031    4.9693    2.0877 H   0  0  0  0  0
    6.8370    6.6898    2.0237 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  3  1  0  0  0
  2 24  1  0  0  0
  3  6  1  0  0  0
  3  4  1  0  0  0
  3 25  1  0  0  0
  4  5  1  0  0  0
  4 26  1  0  0  0
  4 27  1  0  0  0
  5  6  1  0  0  0
  5  7  1  0  0  0
  6 28  1  0  0  0
  6 29  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 20  1  0  0  0
 10 11  1  0  0  0
 11 16  1  0  0  0
 11 12  2  0  0  0
 12 13  1  0  0  0
 13 14  2  0  0  0
 14 15  1  0  0  0
 14 30  1  0  0  0
 15 16  2  0  0  0
 15 17  1  0  0  0
 16 31  1  0  0  0
 17 19  1  0  0  0
 17 18  1  0  0  0
 17 32  1  0  0  0
 18 19  1  0  0  0
 18 33  1  0  0  0
 18 34  1  0  0  0
 19 35  1  0  0  0
 19 36  1  0  0  0
 20 37  1  0  0  0
 20 38  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL2376804

>  <PubChem CID>
71519674

>  <Formula>
C14H18N6

>  <Molecular Weight>
270.340000

>  <IUPAC Name>
7-cyclopropyl-4-[3-(methylamino)azetidin-1-yl]pyrido[3,2-d]pyrimidin-2-amine

>  <XlogP>
1.0

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CNC1CN(C1)C2=NC(=NC3=C2N=CC(=C3)C4CC4)N

>  <Isomeric SMILES>
CNC1CN(C1)C2=NC(=NC3=C2N=CC(=C3)C4CC4)N

>  <InChI Std. ID>
InChI=1S/C14H18N6/c1-16-10-6-20(7-10)13-12-11(18-14(15)19-13)4-9(5-17-12)8-2-3-8/h4-5,8,10,16H,2-3,6-7H2,1H3,(H2,15,18,19)

>  <InChI Key>
KICLSPYVVBSUFF-UHFFFAOYSA-N

