
 CHEMBL2376803

 44 47  0  0  0  0  0  0  0  0999 V2000
   -0.7195    1.1348   -0.0644 C   0  0  0  0  0
    0.7044    1.2068    0.2408 N   0  0  0  0  0
    0.9216    2.0105    1.4649 C   0  0  0  0  0
    2.4312    2.2841    1.6313 C   0  0  0  0  0
    2.2222    3.5651    1.0177 N   0  0  0  0  0
    0.7962    3.5155    1.1703 C   0  0  0  0  0
    3.0441    4.7111    1.1712 C   0  0  0  0  0
    4.2914    4.5052    1.6587 N   0  0  0  0  0
    5.0665    5.5710    1.8178 C   0  0  0  0  0
    4.7228    6.8158    1.5016 N   0  0  0  0  0
    3.4882    7.0025    1.0092 C   0  0  0  0  0
    2.5630    5.9790    0.8030 C   0  0  0  0  0
    1.3222    6.2226    0.2837 N   0  0  0  0  0
    0.9916    7.4896   -0.0303 C   0  0  0  0  0
    1.8281    8.5799    0.1511 C   0  0  0  0  0
    3.0946    8.2953    0.6755 C   0  0  0  0  0
    1.3447    9.9573   -0.2509 C   0  0  0  0  0
    0.1562   10.4314    0.5989 C   0  0  0  0  0
    0.7851   11.0912    1.8229 C   0  0  0  0  0
    2.1720   11.5573    1.3844 C   0  0  0  0  0
    2.3180   11.1287   -0.0740 C   0  0  0  0  0
    6.3407    5.3682    2.3048 N   0  0  0  0  0
   -0.8819    0.4118   -0.8696 H   0  0  0  0  0
   -1.1113    2.0991   -0.4036 H   0  0  0  0  0
   -1.3028    0.8019    0.8002 H   0  0  0  0  0
    1.2053    1.5781   -0.5692 H   0  0  0  0  0
    0.4137    1.6453    2.3624 H   0  0  0  0  0
    3.1280    1.6506    1.0751 H   0  0  0  0  0
    2.7553    2.3671    2.6750 H   0  0  0  0  0
    0.4465    4.1016    2.0279 H   0  0  0  0  0
    0.2558    3.8128    0.2688 H   0  0  0  0  0
   -0.0057    7.6028   -0.4497 H   0  0  0  0  0
    3.8191    9.0887    0.8404 H   0  0  0  0  0
    1.0546    9.8957   -1.3079 H   0  0  0  0  0
   -0.5474    9.6425    0.8820 H   0  0  0  0  0
   -0.4106   11.1865    0.0388 H   0  0  0  0  0
    0.1718   11.9228    2.1845 H   0  0  0  0  0
    0.8757   10.3693    2.6427 H   0  0  0  0  0
    2.2878   12.6406    1.4910 H   0  0  0  0  0
    2.9385   11.0860    2.0093 H   0  0  0  0  0
    1.9934   11.9601   -0.7142 H   0  0  0  0  0
    3.3528   10.9069   -0.3491 H   0  0  0  0  0
    6.6287    4.4180    2.1155 H   0  0  0  0  0
    6.9520    6.1081    1.9895 H   0  0  0  0  0
  1  2  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  2  3  1  0  0  0
  2 26  1  0  0  0
  3  6  1  0  0  0
  3  4  1  0  0  0
  3 27  1  0  0  0
  4  5  1  0  0  0
  4 28  1  0  0  0
  4 29  1  0  0  0
  5  6  1  0  0  0
  5  7  1  0  0  0
  6 30  1  0  0  0
  6 31  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 22  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 32  1  0  0  0
 15 16  2  0  0  0
 15 17  1  0  0  0
 16 33  1  0  0  0
 17 21  1  0  0  0
 17 18  1  0  0  0
 17 34  1  0  0  0
 18 19  1  0  0  0
 18 35  1  0  0  0
 18 36  1  0  0  0
 19 20  1  0  0  0
 19 37  1  0  0  0
 19 38  1  0  0  0
 20 21  1  0  0  0
 20 39  1  0  0  0
 20 40  1  0  0  0
 21 41  1  0  0  0
 21 42  1  0  0  0
 22 43  1  0  0  0
 22 44  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL2376803

>  <PubChem CID>
71525681

>  <Formula>
C16H22N6

>  <Molecular Weight>
298.394000

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

>  <XlogP>
2.1

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CNC1CN(C1)C2=NC(=NC3=C2N=CC(=C3)C4CCCC4)N

>  <Isomeric SMILES>
CNC1CN(C1)C2=NC(=NC3=C2N=CC(=C3)C4CCCC4)N

>  <InChI Std. ID>
InChI=1S/C16H22N6/c1-18-12-8-22(9-12)15-14-13(20-16(17)21-15)6-11(7-19-14)10-4-2-3-5-10/h6-7,10,12,18H,2-5,8-9H2,1H3,(H2,17,20,21)

>  <InChI Key>
HTLDHQKBLGJBRF-UHFFFAOYSA-N

