
 CHEMBL354871

 34 35  0  0  0  0  0  0  0  0999 V2000
    3.1828   -0.3538    1.5140 C   0  0  0  0  0
    2.8150    0.3696    0.2180 C   0  0  0  0  0
    2.8945    1.8304    0.3441 N   0  0  0  0  0
    1.6945    2.5645    0.4820 C   0  0  0  0  0
    0.6658    2.0934    1.3257 C   0  0  0  0  0
   -0.5178    2.8096    1.5331 C   0  0  0  0  0
   -0.7119    4.0286    0.8991 C   0  0  0  0  0
    0.2648    4.5142    0.0354 C   0  0  0  0  0
    1.4474    3.7875   -0.1854 C   0  0  0  0  0
    2.5884    4.4794   -1.5524 Br  0  0  0  0  0
    4.2006    2.3395    0.4915 C   0  0  0  0  0
    5.2481    1.5821    0.1043 N   0  0  0  0  0
    6.4929    2.0693    0.2640 C   0  0  0  0  0
    6.7329    3.3165    0.7949 C   0  0  0  0  0
    5.6221    4.0318    1.1838 C   0  0  0  0  0
    4.3704    3.5528    1.0511 N   0  0  0  0  0
    5.7706    5.4021    1.7719 C   0  0  0  0  0
    7.6290    1.2068   -0.1935 C   0  0  0  0  0
    3.0786   -1.4357    1.3805 H   0  0  0  0  0
    2.5395   -0.0545    2.3467 H   0  0  0  0  0
    4.2147   -0.1568    1.8168 H   0  0  0  0  0
    1.8082    0.0577   -0.0879 H   0  0  0  0  0
    3.4645    0.0174   -0.5938 H   0  0  0  0  0
    0.7808    1.1609    1.8668 H   0  0  0  0  0
   -1.2785    2.4140    2.2003 H   0  0  0  0  0
   -1.6259    4.5932    1.0644 H   0  0  0  0  0
    0.0932    5.4547   -0.4794 H   0  0  0  0  0
    7.7336    3.7103    0.9050 H   0  0  0  0  0
    4.7958    5.8123    2.0548 H   0  0  0  0  0
    6.2262    6.0781    1.0421 H   0  0  0  0  0
    6.3970    5.3643    2.6682 H   0  0  0  0  0
    8.4239    1.1846    0.5587 H   0  0  0  0  0
    8.0354    1.5882   -1.1348 H   0  0  0  0  0
    7.2926    0.1763   -0.3540 H   0  0  0  0  0
  1  2  1  0  0  0
  1 19  1  0  0  0
  1 20  1  0  0  0
  1 21  1  0  0  0
  2  3  1  0  0  0
  2 22  1  0  0  0
  2 23  1  0  0  0
  3 11  1  0  0  0
  3  4  1  0  0  0
  4  5  2  0  0  0
  4  9  1  0  0  0
  5  6  1  0  0  0
  5 24  1  0  0  0
  6  7  2  0  0  0
  6 25  1  0  0  0
  7  8  1  0  0  0
  7 26  1  0  0  0
  8  9  2  0  0  0
  8 27  1  0  0  0
  9 10  1  0  0  0
 11 16  1  0  0  0
 11 12  2  0  0  0
 12 13  1  0  0  0
 13 14  2  0  0  0
 13 18  1  0  0  0
 14 15  1  0  0  0
 14 28  1  0  0  0
 15 16  2  0  0  0
 15 17  1  0  0  0
 17 29  1  0  0  0
 17 30  1  0  0  0
 17 31  1  0  0  0
 18 32  1  0  0  0
 18 33  1  0  0  0
 18 34  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL354871

>  <PubChem CID>
10828446

>  <Formula>
C14H16BrN3

>  <Molecular Weight>
306.207000

>  <IUPAC Name>
N-(2-bromophenyl)-N-ethyl-4,6-dimethylpyrimidin-2-amine

>  <XlogP>
4.100

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CCN(C1=CC=CC=C1Br)C2=NC(=CC(=N2)C)C

>  <Isomeric SMILES>
CCN(C1=CC=CC=C1Br)C2=NC(=CC(=N2)C)C

>  <InChI Std. ID>
InChI=1S/C14H16BrN3/c1-4-18(13-8-6-5-7-12(13)15)14-16-10(2)9-11(3)17-14/h5-9H,4H2,1-3H3

>  <InChI Key>
AFIAMYYTCNEEFL-UHFFFAOYSA-N

