
 CHEMBL2376800

 37 39  0  0  0  0  0  0  0  0999 V2000
    2.0656   -0.4755   -1.5084 C   0  0  0  0  0
    2.2527    0.0045   -0.0784 C   0  0  0  0  0
    2.8838    1.3661   -0.0181 C   0  0  0  0  0
    2.1118    2.5306   -0.0284 C   0  0  0  0  0
    2.6886    3.7921    0.0370 C   0  0  0  0  0
    4.0841    3.8568    0.1129 C   0  0  0  0  0
    4.5665    5.1730    0.2154 C   0  0  0  0  0
    3.7557    6.2605    0.2014 N   0  0  0  0  0
    2.4480    6.0510    0.1259 C   0  0  0  0  0
    1.8755    4.8569    0.0316 N   0  0  0  0  0
    1.6257    7.1582    0.1027 N   0  0  0  0  0
    5.9524    5.4378    0.3303 N   0  0  0  0  0
    6.9834    4.5877    0.8419 C   0  0  0  0  0
    7.6811    5.8279    1.4274 C   0  0  0  0  0
    6.5369    6.6534    0.8152 C   0  0  0  0  0
    7.5522    5.8535    2.9013 N   0  0  0  0  0
    8.5985    5.0399    3.5039 C   0  0  0  0  0
    4.8617    2.7286    0.0962 N   0  0  0  0  0
    4.2551    1.5257    0.0299 C   0  0  0  0  0
    1.6040   -1.4678   -1.5158 H   0  0  0  0  0
    3.0245   -0.5434   -2.0333 H   0  0  0  0  0
    1.4195    0.2038   -2.0743 H   0  0  0  0  0
    2.8715   -0.7123    0.4749 H   0  0  0  0  0
    1.2836    0.0259    0.4349 H   0  0  0  0  0
    1.0274    2.4600   -0.0794 H   0  0  0  0  0
    2.1460    7.9602   -0.2269 H   0  0  0  0  0
    0.7629    6.9386   -0.3749 H   0  0  0  0  0
    7.5321    4.0927    0.0346 H   0  0  0  0  0
    6.6390    3.8464    1.5689 H   0  0  0  0  0
    8.6746    6.0586    1.0290 H   0  0  0  0  0
    5.9015    7.2062    1.5148 H   0  0  0  0  0
    6.8322    7.3098   -0.0102 H   0  0  0  0  0
    6.6384    5.5378    3.2319 H   0  0  0  0  0
    9.5907    5.4329    3.2625 H   0  0  0  0  0
    8.5409    3.9955    3.1831 H   0  0  0  0  0
    8.4921    5.0615    4.5923 H   0  0  0  0  0
    4.9295    0.6731    0.0223 H   0  0  0  0  0
  1  2  1  0  0  0
  1 20  1  0  0  0
  1 21  1  0  0  0
  1 22  1  0  0  0
  2  3  1  0  0  0
  2 23  1  0  0  0
  2 24  1  0  0  0
  3 19  1  0  0  0
  3  4  2  0  0  0
  4  5  1  0  0  0
  4 25  1  0  0  0
  5  6  2  0  0  0
  5 10  1  0  0  0
  6 18  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 26  1  0  0  0
 11 27  1  0  0  0
 12 15  1  0  0  0
 12 13  1  0  0  0
 13 14  1  0  0  0
 13 28  1  0  0  0
 13 29  1  0  0  0
 14 15  1  0  0  0
 14 16  1  0  0  0
 14 30  1  0  0  0
 15 31  1  0  0  0
 15 32  1  0  0  0
 16 17  1  0  0  0
 16 33  1  0  0  0
 17 34  1  0  0  0
 17 35  1  0  0  0
 17 36  1  0  0  0
 18 19  2  0  0  0
 19 37  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL2376800

>  <PubChem CID>
71525678

>  <Formula>
C13H18N6

>  <Molecular Weight>
258.329000

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

>  <XlogP>
0.9

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CCC1=CC2=C(C(=NC(=N2)N)N3CC(C3)NC)N=C1

>  <Isomeric SMILES>
CCC1=CC2=C(C(=NC(=N2)N)N3CC(C3)NC)N=C1

>  <InChI Std. ID>
InChI=1S/C13H18N6/c1-3-8-4-10-11(16-5-8)12(18-13(14)17-10)19-6-9(7-19)15-2/h4-5,9,15H,3,6-7H2,1-2H3,(H2,14,17,18)

>  <InChI Key>
PREVTMRNRJIUDH-UHFFFAOYSA-N

