
 CHEMBL3702001

 35 37  0  0  0  0  0  0  0  0999 V2000
   -3.4665   -1.3246   -0.9127 C   0  0  0  0  0
   -2.5118   -2.4065   -0.3911 C   0  0  0  0  0
   -1.1478   -1.9593   -0.3688 O   0  0  0  0  0
   -0.9760   -0.7431    0.3985 C   0  0  0  0  0
   -1.9368    0.3434   -0.1597 C   0  0  0  0  0
   -3.3588   -0.0661   -0.1512 N   0  0  0  0  0
   -1.0291   -1.0146    1.8996 C   0  0  0  0  0
   -0.6161   -2.2598    2.3929 C   0  0  0  0  0
   -0.6438   -2.5494    3.7614 C   0  0  0  0  0
   -1.0570   -1.6020    4.6978 C   0  0  0  0  0
   -1.4266   -0.3405    4.2103 C   0  0  0  0  0
   -1.4103   -0.0472    2.8373 C   0  0  0  0  0
   -1.0981   -1.8382    6.0760 N   0  0  0  0  0
   -0.7910   -2.9433    6.8643 C   0  0  0  0  0
   -1.0047   -2.7893    8.1840 N   0  0  0  0  0
   -0.7157   -3.8407    8.9866 C   0  0  0  0  0
   -0.2230   -5.0379    8.5283 C   0  0  0  0  0
   -0.0377   -5.1031    7.1725 C   0  0  0  0  0
   -0.3121   -4.0811    6.3338 N   0  0  0  0  0
    0.1322   -6.3461    9.5657 Cl  0  0  0  0  0
   -3.2476   -1.1175   -1.9670 H   0  0  0  0  0
   -4.4984   -1.6876   -0.8622 H   0  0  0  0  0
   -2.5550   -3.2823   -1.0468 H   0  0  0  0  0
   -2.8101   -2.7393    0.6094 H   0  0  0  0  0
    0.0487   -0.4075    0.1933 H   0  0  0  0  0
   -1.8328    1.2892    0.3802 H   0  0  0  0  0
   -1.6582    0.5566   -1.2003 H   0  0  0  0  0
   -3.6218   -0.2616    0.8169 H   0  0  0  0  0
   -0.2744   -3.0347    1.7081 H   0  0  0  0  0
   -0.3304   -3.5426    4.0651 H   0  0  0  0  0
   -1.7323    0.4424    4.9012 H   0  0  0  0  0
   -1.6970    0.9553    2.5313 H   0  0  0  0  0
   -1.4501   -1.0963    6.6623 H   0  0  0  0  0
   -0.9019   -3.6762   10.0431 H   0  0  0  0  0
    0.3472   -5.9974    6.6917 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  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  4  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  4 25  1  0  0  0
  5  6  1  0  0  0
  5 26  1  0  0  0
  5 27  1  0  0  0
  6 28  1  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
  8 29  1  0  0  0
  9 10  2  0  0  0
  9 30  1  0  0  0
 10 11  1  0  0  0
 10 13  1  0  0  0
 11 12  2  0  0  0
 11 31  1  0  0  0
 12 32  1  0  0  0
 13 14  1  0  0  0
 13 33  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 34  1  0  0  0
 17 18  1  0  0  0
 17 20  1  0  0  0
 18 19  2  0  0  0
 18 35  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3702001

>  <PubChem CID>
68325723

>  <Formula>
C14H15ClN4O

>  <Molecular Weight>
290.751000

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

>  <XlogP>
1.7

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

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

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

>  <InChI Std. ID>
InChI=1S/C14H15ClN4O/c15-11-7-17-14(18-8-11)19-12-3-1-10(2-4-12)13-9-16-5-6-20-13/h1-4,7-8,13,16H,5-6,9H2,(H,17,18,19)/t13-/m0/s1

>  <InChI Key>
BCNVOCHGDPAXIS-ZDUSSCGKSA-N

