
 CHEMBL446269

 40 43  0  0  0  0  0  0  0  0999 V2000
    2.7647    0.2711   -1.0202 C   0  0  0  0  0
    1.6724    1.1938   -0.7416 N   0  0  0  0  0
    2.1448    2.5748   -0.5952 C   0  0  0  0  0
    0.9717    3.5114   -0.3122 C   0  0  0  0  0
    1.6438    4.7807    0.2110 C   0  0  0  0  0
    2.9016    4.3291    0.8094 N   0  0  0  0  0
    3.0642    2.8831    0.6067 C   0  0  0  0  0
    3.3289    4.8513    2.0184 C   0  0  0  0  0
    3.8361    4.0053    2.9424 N   0  0  0  0  0
    4.2671    4.4877    4.1228 C   0  0  0  0  0
    4.2248    5.7620    4.5039 N   0  0  0  0  0
    3.7510    6.5762    3.5628 C   0  0  0  0  0
    3.2964    6.1880    2.3081 C   0  0  0  0  0
    2.8936    7.3986    1.5062 C   0  0  0  0  0
    3.1381    8.5301    2.4873 C   0  0  0  0  0
    2.9187    9.8862    2.3202 C   0  0  0  0  0
    3.2124   10.7313    3.3934 C   0  0  0  0  0
    3.7172   10.2168    4.6014 C   0  0  0  0  0
    3.9383    8.8455    4.7593 C   0  0  0  0  0
    3.6441    8.0100    3.6967 C   0  0  0  0  0
    4.7384    3.5697    5.0416 N   0  0  0  0  0
    2.3589   -0.7356   -1.1630 H   0  0  0  0  0
    3.4804    0.2253   -0.1932 H   0  0  0  0  0
    3.2924    0.5464   -1.9388 H   0  0  0  0  0
    1.2009    0.9000    0.1145 H   0  0  0  0  0
    2.6316    2.9006   -1.5246 H   0  0  0  0  0
    0.3196    3.0990    0.4695 H   0  0  0  0  0
    0.3549    3.7052   -1.1955 H   0  0  0  0  0
    1.8616    5.4668   -0.6149 H   0  0  0  0  0
    0.9736    5.2769    0.9213 H   0  0  0  0  0
    4.1061    2.6231    0.3898 H   0  0  0  0  0
    2.7247    2.3130    1.4817 H   0  0  0  0  0
    1.8345    7.3740    1.2387 H   0  0  0  0  0
    3.5299    7.5130    0.6236 H   0  0  0  0  0
    2.5284   10.2861    1.3904 H   0  0  0  0  0
    3.0488   11.8024    3.2965 H   0  0  0  0  0
    3.9377   10.8943    5.4232 H   0  0  0  0  0
    4.3273    8.4444    5.6900 H   0  0  0  0  0
    4.3329    2.6657    4.8467 H   0  0  0  0  0
    4.6188    3.9420    5.9733 H   0  0  0  0  0
  1  2  1  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  2  3  1  0  0  0
  2 25  1  0  0  0
  3  7  1  0  0  0
  3  4  1  0  0  0
  3 26  1  0  0  0
  4  5  1  0  0  0
  4 27  1  0  0  0
  4 28  1  0  0  0
  5  6  1  0  0  0
  5 29  1  0  0  0
  5 30  1  0  0  0
  6  7  1  0  0  0
  6  8  1  0  0  0
  7 31  1  0  0  0
  7 32  1  0  0  0
  8  9  2  0  0  0
  8 13  1  0  0  0
  9 10  1  0  0  0
 10 11  2  0  0  0
 10 21  1  0  0  0
 11 12  1  0  0  0
 12 13  2  0  0  0
 12 20  1  0  0  0
 13 14  1  0  0  0
 14 15  1  0  0  0
 14 33  1  0  0  0
 14 34  1  0  0  0
 15 16  2  0  0  0
 15 20  1  0  0  0
 16 17  1  0  0  0
 16 35  1  0  0  0
 17 18  2  0  0  0
 17 36  1  0  0  0
 18 19  1  0  0  0
 18 37  1  0  0  0
 19 20  2  0  0  0
 19 38  1  0  0  0
 21 39  1  0  0  0
 21 40  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL446269

>  <PubChem CID>
44568790

>  <Formula>
C16H19N5

>  <Molecular Weight>
281.363000

>  <IUPAC Name>
4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-5H-indeno[1,2-d]pyrimidin-2-amine

>  <XlogP>
1.7

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CNC1CCN(C1)C2=NC(=NC3=C2CC4=CC=CC=C43)N

>  <Isomeric SMILES>
CN[C@@H]1CCN(C1)C2=NC(=NC3=C2CC4=CC=CC=C43)N

>  <InChI Std. ID>
InChI=1S/C16H19N5/c1-18-11-6-7-21(9-11)15-13-8-10-4-2-3-5-12(10)14(13)19-16(17)20-15/h2-5,11,18H,6-9H2,1H3,(H2,17,19,20)/t11-/m1/s1

>  <InChI Key>
PTDHIIWRLMCNKG-LLVKDONJSA-N

