63759002
  -OEChem-05102413592D

 33 34  0     0  0  0  0  0  0999 V2000
    5.4641   -0.4400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.0600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.4400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -1.9400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -1.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    1.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5856   -1.3323    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9841   -2.0226    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -0.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932    1.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    1.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    2.1800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    1.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3520    2.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.1800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1120    2.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    0.0969    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -0.9769    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -2.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -1.6300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1 10  1  0  0  0  0
  1 20  1  0  0  0  0
  2 10  1  0  0  0  0
  2 13  2  0  0  0  0
  3 10  2  0  0  0  0
  3 14  1  0  0  0  0
  4  7  1  0  0  0  0
  4 32  1  0  0  0  0
  4 33  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  2  0  0  0  0
  6  9  2  0  0  0  0
  7 18  1  0  0  0  0
  7 19  1  0  0  0  0
  8 11  1  0  0  0  0
  8 21  1  0  0  0  0
  9 12  1  0  0  0  0
  9 22  1  0  0  0  0
 11 12  2  0  0  0  0
 11 23  1  0  0  0  0
 12 24  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 15  2  0  0  0  0
 14 17  1  0  0  0  0
 15 25  1  0  0  0  0
 16 26  1  0  0  0  0
 16 27  1  0  0  0  0
 16 28  1  0  0  0  0
 17 29  1  0  0  0  0
 17 30  1  0  0  0  0
 17 31  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
63759002

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
224

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBzgAAAAAAAAAAAAAAAAAAAAAAAAAA8QAAAAAAAAAABwAAAHAAQAAAADAjBHgQz0JbIEACgAyRiZACCgCkhAqAJmKAwZJiIKCLA2dGEJAhokAJIyCcQgAAOAAAAAAACAAAAAAAAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-[2-(aminomethyl)phenyl]-4,6-dimethyl-pyrimidin-2-amine

> <PUBCHEM_IUPAC_CAS_NAME>
N-[2-(aminomethyl)phenyl]-4,6-dimethyl-2-pyrimidinamine

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-[2-(aminomethyl)phenyl]-4,6-dimethylpyrimidin-2-amine

> <PUBCHEM_IUPAC_NAME>
N-[2-(aminomethyl)phenyl]-4,6-dimethylpyrimidin-2-amine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[2-(aminomethyl)phenyl]-4,6-dimethyl-pyrimidin-2-amine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
[2-(aminomethyl)phenyl]-(4,6-dimethylpyrimidin-2-yl)amine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C13H16N4/c1-9-7-10(2)16-13(15-9)17-12-6-4-3-5-11(12)8-14/h3-7H,8,14H2,1-2H3,(H,15,16,17)

> <PUBCHEM_IUPAC_INCHIKEY>
ZXRKYFVRCDONRZ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.3

> <PUBCHEM_EXACT_MASS>
228.137496527

> <PUBCHEM_MOLECULAR_FORMULA>
C13H16N4

> <PUBCHEM_MOLECULAR_WEIGHT>
228.29

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=CC(=NC(=N1)NC2=CC=CC=C2CN)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=CC(=NC(=N1)NC2=CC=CC=C2CN)C

> <PUBCHEM_CACTVS_TPSA>
63.8

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
228.137496527

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
17

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
11  12  8
13  15  8
14  15  8
2  10  8
2  13  8
3  10  8
3  14  8
5  6  8
5  8  8
6  9  8
8  11  8
9  12  8

$$$$