
 SCHEMBL605165

 49 52  0  0  0  0  0  0  0  0999 V2000
    1.2394    2.2873   -2.0740 C   0  0  0  0  0
    2.6857    2.4138   -1.9514 N   0  0  0  0  0
    3.1517    2.0206   -0.6191 C   0  0  0  0  0
    4.6674    2.1663   -0.4985 C   0  0  0  0  0
    4.9091    2.0865    1.0101 C   0  0  0  0  0
    3.6354    2.4892    1.6410 N   0  0  0  0  0
    2.6931    2.8767    0.5807 C   0  0  0  0  0
    3.8085    3.4184    2.6766 C   0  0  0  0  0
    3.6432    4.7275    2.4130 N   0  0  0  0  0
    3.8549    5.5924    3.4025 C   0  0  0  0  0
    4.2882    5.2705    4.6178 N   0  0  0  0  0
    4.4473    3.9563    4.8796 C   0  0  0  0  0
    4.1818    2.9681    3.9419 C   0  0  0  0  0
    4.1953    1.5032    4.2935 C   0  0  0  0  0
    4.7195    1.1528    5.6879 C   0  0  0  0  0
    4.4305    2.2441    6.7117 C   0  0  0  0  0
    4.9848    3.6035    6.2544 C   0  0  0  0  0
    6.5115    3.6624    6.3598 C   0  0  0  0  0
    7.3626    3.3238    5.2923 C   0  0  0  0  0
    8.7509    3.3587    5.4379 C   0  0  0  0  0
    9.3142    3.7349    6.6525 C   0  0  0  0  0
    8.4896    4.0745    7.7222 C   0  0  0  0  0
    7.1001    4.0356    7.5792 C   0  0  0  0  0
    3.6709    6.9345    3.1345 N   0  0  0  0  0
    0.9421    2.5085   -3.1036 H   0  0  0  0  0
    0.7148    2.9891   -1.4180 H   0  0  0  0  0
    0.9075    1.2685   -1.8476 H   0  0  0  0  0
    2.9535    3.3801   -2.1394 H   0  0  0  0  0
    2.8924    0.9679   -0.4383 H   0  0  0  0  0
    5.0016    3.1431   -0.8721 H   0  0  0  0  0
    5.2163    1.3923   -1.0445 H   0  0  0  0  0
    5.1373    1.0540    1.2945 H   0  0  0  0  0
    5.7622    2.7165    1.2913 H   0  0  0  0  0
    1.6630    2.6472    0.8721 H   0  0  0  0  0
    2.7598    3.9393    0.3142 H   0  0  0  0  0
    3.1631    1.1385    4.2170 H   0  0  0  0  0
    4.7930    0.9418    3.5688 H   0  0  0  0  0
    4.2751    0.2054    6.0154 H   0  0  0  0  0
    5.7992    0.9717    5.6373 H   0  0  0  0  0
    4.8479    1.9583    7.6848 H   0  0  0  0  0
    3.3426    2.3207    6.8459 H   0  0  0  0  0
    4.5849    4.3613    6.9439 H   0  0  0  0  0
    6.9621    3.0246    4.3278 H   0  0  0  0  0
    9.3901    3.0930    4.5998 H   0  0  0  0  0
   10.3942    3.7652    6.7651 H   0  0  0  0  0
    8.9277    4.3712    8.6713 H   0  0  0  0  0
    6.4765    4.3041    8.4297 H   0  0  0  0  0
    4.2393    7.4748    3.7718 H   0  0  0  0  0
    3.8017    7.0974    2.1468 H   0  0  0  0  0
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M  END

>  <Chemical Name>
SCHEMBL605165

>  <PubChem CID>
44466871

>  <Formula>
C19H25N5

>  <Molecular Weight>
323.444000

>  <IUPAC Name>
4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-8-phenyl-5,6,7,8-tetrahydroquinazolin-2-amine

>  <XlogP>
2.8

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CNC1CCN(C1)C2=NC(=NC3=C2CCCC3C4=CC=CC=C4)N

>  <Isomeric SMILES>
CN[C@@H]1CCN(C1)C2=NC(=NC3=C2CCCC3C4=CC=CC=C4)N

>  <InChI Std. ID>
InChI=1S/C19H25N5/c1-21-14-10-11-24(12-14)18-16-9-5-8-15(13-6-3-2-4-7-13)17(16)22-19(20)23-18/h2-4,6-7,14-15,21H,5,8-12H2,1H3,(H2,20,22,23)/t14-,15?/m1/s1

>  <InChI Key>
AWTCYYOBPHDYEC-GICMACPYSA-N

