
 CHEMBL3735468

 32 34  0  0  0  0  0  0  0  0999 V2000
    1.0293    0.1990    0.2386 C   0  0  0  0  0
    2.4968    0.3448    0.1838 C   0  0  0  0  0
    3.3425    1.4309    0.1397 C   0  0  0  0  0
    4.6576    0.9076    0.1084 C   0  0  0  0  0
    4.5412   -0.4687    0.1335 C   0  0  0  0  0
    3.2167   -0.8115    0.1770 O   0  0  0  0  0
    5.5041   -1.5623    0.1233 C   0  0  0  0  0
    6.7943   -1.1752    0.1026 N   0  0  0  0  0
    7.7035   -2.1460    0.1138 C   0  0  0  0  0
    7.4289   -3.4508    0.1004 N   0  0  0  0  0
    6.1299   -3.8209    0.1078 C   0  0  0  0  0
    5.1173   -2.8850    0.1302 C   0  0  0  0  0
    5.8796   -5.2789    0.0944 C   0  0  0  0  0
    4.7351   -5.8384   -0.5060 C   0  0  0  0  0
    4.5147   -7.2211   -0.5092 C   0  0  0  0  0
    5.4400   -8.0722    0.0865 C   0  0  0  0  0
    6.5843   -7.5530    0.6817 C   0  0  0  0  0
    6.7996   -6.1703    0.6819 C   0  0  0  0  0
    5.1701   -9.7702    0.0816 Cl  0  0  0  0  0
    9.0318   -1.7769    0.0872 N   0  0  0  0  0
    0.5350    1.1743    0.1921 H   0  0  0  0  0
    0.7290   -0.2917    1.1696 H   0  0  0  0  0
    0.6719   -0.4048   -0.6014 H   0  0  0  0  0
    3.0485    2.4713    0.1342 H   0  0  0  0  0
    5.5882    1.4573    0.0738 H   0  0  0  0  0
    4.0727   -3.1625    0.1636 H   0  0  0  0  0
    4.0010   -5.2054   -1.0008 H   0  0  0  0  0
    3.6232   -7.6235   -0.9830 H   0  0  0  0  0
    7.3137   -8.2104    1.1461 H   0  0  0  0  0
    7.7029   -5.7830    1.1535 H   0  0  0  0  0
    9.5818   -2.5202   -0.3204 H   0  0  0  0  0
    9.1227   -0.8576   -0.3213 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  2  0  0  0
  2  6  1  0  0  0
  3  4  1  0  0  0
  3 24  1  0  0  0
  4  5  2  0  0  0
  4 25  1  0  0  0
  5  6  1  0  0  0
  5  7  1  0  0  0
  7 12  1  0  0  0
  7  8  2  0  0  0
  8  9  1  0  0  0
  9 10  2  0  0  0
  9 20  1  0  0  0
 10 11  1  0  0  0
 11 12  2  0  0  0
 11 13  1  0  0  0
 12 26  1  0  0  0
 13 14  2  0  0  0
 13 18  1  0  0  0
 14 15  1  0  0  0
 14 27  1  0  0  0
 15 16  2  0  0  0
 15 28  1  0  0  0
 16 17  1  0  0  0
 16 19  1  0  0  0
 17 18  2  0  0  0
 17 29  1  0  0  0
 18 30  1  0  0  0
 20 31  1  0  0  0
 20 32  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3735468

>  <PubChem CID>
75360148

>  <Formula>
C15H12ClN3O

>  <Molecular Weight>
285.731000

>  <IUPAC Name>
4-(4-chlorophenyl)-6-(5-methylfuran-2-yl)pyrimidin-2-amine

>  <XlogP>
3.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1=CC=C(O1)C2=NC(=NC(=C2)C3=CC=C(C=C3)Cl)N

>  <Isomeric SMILES>
CC1=CC=C(O1)C2=NC(=NC(=C2)C3=CC=C(C=C3)Cl)N

>  <InChI Std. ID>
InChI=1S/C15H12ClN3O/c1-9-2-7-14(20-9)13-8-12(18-15(17)19-13)10-3-5-11(16)6-4-10/h2-8H,1H3,(H2,17,18,19)

>  <InChI Key>
AAFPITMZIGAOIF-UHFFFAOYSA-N

