
 CHEMBL3641701

 42 45  0  0  0  0  0  0  0  0999 V2000
   -3.3646   -0.8309   -1.2653 C   0  0  0  0  0
   -2.7987   -2.1117   -0.6369 C   0  0  0  0  0
   -1.3688   -2.0695   -0.5435 O   0  0  0  0  0
   -0.9027   -0.9237    0.2030 C   0  0  0  0  0
   -1.5013    0.3811   -0.3928 C   0  0  0  0  0
   -2.9764    0.3753   -0.5117 N   0  0  0  0  0
   -1.0461   -1.1638    1.6999 C   0  0  0  0  0
   -0.5365   -2.3558    2.2390 C   0  0  0  0  0
   -0.5722   -2.6062    3.6156 C   0  0  0  0  0
   -1.1310   -1.6857    4.5040 C   0  0  0  0  0
   -1.6525   -0.5020    3.9652 C   0  0  0  0  0
   -1.6037   -0.2388    2.5883 C   0  0  0  0  0
   -1.1192   -1.8522    5.8918 N   0  0  0  0  0
   -0.2871   -2.5802    6.7367 C   0  0  0  0  0
   -0.5431   -2.4528    8.0490 N   0  0  0  0  0
    0.2870   -3.0909    8.9083 C   0  0  0  0  0
    1.3736   -3.8478    8.5252 C   0  0  0  0  0
    1.5404   -3.9143    7.1607 C   0  0  0  0  0
    0.7369   -3.3035    6.2626 N   0  0  0  0  0
    2.2684   -4.5061    9.4588 C   0  0  0  0  0
    3.4065   -5.2798    9.3278 C   0  0  0  0  0
    3.8225   -5.6194   10.6387 C   0  0  0  0  0
    2.9163   -5.0347   11.4894 C   0  0  0  0  0
    1.9726   -4.3592   10.7854 O   0  0  0  0  0
   -3.0039   -0.7324   -2.2963 H   0  0  0  0  0
   -4.4570   -0.8893   -1.3072 H   0  0  0  0  0
   -3.0590   -2.9716   -1.2627 H   0  0  0  0  0
   -3.2283   -2.2892    0.3557 H   0  0  0  0  0
    0.1790   -0.8737    0.0193 H   0  0  0  0  0
   -1.1863    1.2576    0.1837 H   0  0  0  0  0
   -1.0937    0.5189   -1.4030 H   0  0  0  0  0
   -3.3726    0.2952    0.4253 H   0  0  0  0  0
   -0.0909   -3.1020    1.5821 H   0  0  0  0  0
   -0.1595   -3.5436    3.9782 H   0  0  0  0  0
   -2.0765    0.2531    4.6239 H   0  0  0  0  0
   -1.9938    0.7161    2.2464 H   0  0  0  0  0
   -1.7241   -1.2603    6.4403 H   0  0  0  0  0
    0.0342   -2.9563    9.9576 H   0  0  0  0  0
    2.3560   -4.4729    6.7109 H   0  0  0  0  0
    3.8864   -5.5666    8.4024 H   0  0  0  0  0
    4.6772   -6.2153   10.9268 H   0  0  0  0  0
    2.8084   -5.0052   12.5649 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  2  3  1  0  0  0
  2 27  1  0  0  0
  2 28  1  0  0  0
  3  4  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  4 29  1  0  0  0
  5  6  1  0  0  0
  5 30  1  0  0  0
  5 31  1  0  0  0
  6 32  1  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
  8 33  1  0  0  0
  9 10  2  0  0  0
  9 34  1  0  0  0
 10 11  1  0  0  0
 10 13  1  0  0  0
 11 12  2  0  0  0
 11 35  1  0  0  0
 12 36  1  0  0  0
 13 14  1  0  0  0
 13 37  1  0  0  0
 14 19  1  0  0  0
 14 15  2  0  0  0
 15 16  1  0  0  0
 16 17  2  0  0  0
 16 38  1  0  0  0
 17 18  1  0  0  0
 17 20  1  0  0  0
 18 19  2  0  0  0
 18 39  1  0  0  0
 20 21  2  0  0  0
 20 24  1  0  0  0
 21 22  1  0  0  0
 21 40  1  0  0  0
 22 23  2  0  0  0
 22 41  1  0  0  0
 23 24  1  0  0  0
 23 42  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3641701

>  <PubChem CID>
68325673

>  <Formula>
C18H18N4O2

>  <Molecular Weight>
322.368000

>  <IUPAC Name>
5-(furan-2-yl)-N-[4-[(2R)-morpholin-2-yl]phenyl]pyrimidin-2-amine

>  <XlogP>
1.8

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C1COC(CN1)C2=CC=C(C=C2)NC3=NC=C(C=N3)C4=CC=CO4

>  <Isomeric SMILES>
C1CO[C@@H](CN1)C2=CC=C(C=C2)NC3=NC=C(C=N3)C4=CC=CO4

>  <InChI Std. ID>
InChI=1S/C18H18N4O2/c1-2-16(23-8-1)14-10-20-18(21-11-14)22-15-5-3-13(4-6-15)17-12-19-7-9-24-17/h1-6,8,10-11,17,19H,7,9,12H2,(H,20,21,22)/t17-/m0/s1

>  <InChI Key>
BSZWDPCABUCBQS-KRWDZBQOSA-N

