
 CHEMBL2376801

 40 42  0  0  0  0  0  0  0  0999 V2000
    0.3229   -0.2932   -1.2126 C   0  0  0  0  0
    0.9091    0.0863    0.1385 C   0  0  0  0  0
    1.9172    1.1930    0.0232 C   0  0  0  0  0
    1.5435    2.5352    0.1188 C   0  0  0  0  0
    2.4685    3.5638    0.0024 C   0  0  0  0  0
    3.8065    3.2098   -0.2154 C   0  0  0  0  0
    4.6694    4.3220   -0.3140 C   0  0  0  0  0
    4.2121    5.5962   -0.2370 N   0  0  0  0  0
    2.9183    5.7881   -0.0088 C   0  0  0  0  0
    2.0180    4.8200    0.1025 N   0  0  0  0  0
    2.4699    7.0896    0.0700 N   0  0  0  0  0
    6.0364    4.1832   -0.5412 N   0  0  0  0  0
    6.7859    3.0392   -0.0220 C   0  0  0  0  0
    8.1805    3.5964    0.2834 C   0  0  0  0  0
    8.3061    4.7920   -0.6609 C   0  0  0  0  0
    6.8801    5.3780   -0.5835 C   0  0  0  0  0
    9.4106    5.6679   -0.2563 N   0  0  0  0  0
    9.5500    6.8129   -1.1459 C   0  0  0  0  0
    4.1891    1.8971   -0.3277 N   0  0  0  0  0
    3.2533    0.9335   -0.2110 C   0  0  0  0  0
   -0.4088   -1.0985   -1.0941 H   0  0  0  0  0
    1.1013   -0.6406   -1.9001 H   0  0  0  0  0
   -0.1824    0.5588   -1.6797 H   0  0  0  0  0
    1.3779   -0.7924    0.5984 H   0  0  0  0  0
    0.1039    0.3902    0.8185 H   0  0  0  0  0
    0.5004    2.7946    0.2897 H   0  0  0  0  0
    3.1107    7.6958   -0.4230 H   0  0  0  0  0
    1.4957    7.1325   -0.1926 H   0  0  0  0  0
    6.8492    2.2588   -0.7881 H   0  0  0  0  0
    6.3609    2.6182    0.8962 H   0  0  0  0  0
    8.2208    3.9226    1.3313 H   0  0  0  0  0
    8.9649    2.8476    0.1348 H   0  0  0  0  0
    8.4889    4.4124   -1.6761 H   0  0  0  0  0
    6.7615    5.9760    0.3295 H   0  0  0  0  0
    6.6605    6.0006   -1.4579 H   0  0  0  0  0
   10.2791    5.1334   -0.2606 H   0  0  0  0  0
    8.6730    7.4660   -1.1001 H   0  0  0  0  0
    9.7133    6.5007   -2.1824 H   0  0  0  0  0
   10.4136    7.4096   -0.8354 H   0  0  0  0  0
    3.6270   -0.0817   -0.3148 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
  2 25  1  0  0  0
  3 20  1  0  0  0
  3  4  2  0  0  0
  4  5  1  0  0  0
  4 26  1  0  0  0
  5  6  2  0  0  0
  5 10  1  0  0  0
  6 19  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 27  1  0  0  0
 11 28  1  0  0  0
 12 16  1  0  0  0
 12 13  1  0  0  0
 13 14  1  0  0  0
 13 29  1  0  0  0
 13 30  1  0  0  0
 14 15  1  0  0  0
 14 31  1  0  0  0
 14 32  1  0  0  0
 15 16  1  0  0  0
 15 17  1  0  0  0
 15 33  1  0  0  0
 16 34  1  0  0  0
 16 35  1  0  0  0
 17 18  1  0  0  0
 17 36  1  0  0  0
 18 37  1  0  0  0
 18 38  1  0  0  0
 18 39  1  0  0  0
 19 20  2  0  0  0
 20 40  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL2376801

>  <PubChem CID>
71525679

>  <Formula>
C14H20N6

>  <Molecular Weight>
272.356000

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

>  <XlogP>
1.2

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CCC1=CC2=C(C(=NC(=N2)N)N3CCC(C3)NC)N=C1

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

>  <InChI Std. ID>
InChI=1S/C14H20N6/c1-3-9-6-11-12(17-7-9)13(19-14(15)18-11)20-5-4-10(8-20)16-2/h6-7,10,16H,3-5,8H2,1-2H3,(H2,15,18,19)/t10-/m1/s1

>  <InChI Key>
QEDDBMMRWNQKSG-SNVBAGLBSA-N

