63353565
  -OEChem-05132400332D

 32 34  0     0  0  0  0  0  0999 V2000
    4.7320   -0.4050    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981    1.0950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320    2.5950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -1.2710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660    0.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660    1.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981    0.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320    1.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4641   -0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4641   -1.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3301    0.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3301   -1.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1962   -0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1962   -1.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3301   -2.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8395    0.1939    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8923    0.2056    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4174   -0.6171    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0250   -1.6696    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9750   -1.6696    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3291    1.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9272   -1.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3301    0.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1951    2.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2690    2.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7331   -0.0950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7331   -1.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7101   -2.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3301   -3.5250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9501   -2.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1  9  2  0  0  0  0
  2  9  1  0  0  0  0
  2 10  2  0  0  0  0
  3 10  1  0  0  0  0
  3 26  1  0  0  0  0
  3 27  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4 18  1  0  0  0  0
  5  6  1  0  0  0  0
  5 19  1  0  0  0  0
  5 20  1  0  0  0  0
  6 21  1  0  0  0  0
  6 22  1  0  0  0  0
  7  8  2  0  0  0  0
  8 10  1  0  0  0  0
  8 23  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  2  0  0  0  0
 12 24  1  0  0  0  0
 13 15  1  0  0  0  0
 13 25  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 16  2  0  0  0  0
 15 28  1  0  0  0  0
 16 29  1  0  0  0  0
 17 30  1  0  0  0  0
 17 31  1  0  0  0  0
 17 32  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
63353565

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
264

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzAAAAAAAAAAAAAAAAGAAAAAAAAAA8QAAAAAAAAAABwAAAHAAQAAAADQiBHwAzsJZIEACgAyZiZACCgCkhAqAJmCAwZJiIKKLA2dGEJAhokALIyCcQgEAOAAACAAAAAAAAAAQAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
6-cyclopropyl-2-(m-tolyl)pyrimidin-4-amine

> <PUBCHEM_IUPAC_CAS_NAME>
6-cyclopropyl-2-(3-methylphenyl)-4-pyrimidinamine

> <PUBCHEM_IUPAC_NAME_MARKUP>
6-cyclopropyl-2-(3-methylphenyl)pyrimidin-4-amine

> <PUBCHEM_IUPAC_NAME>
6-cyclopropyl-2-(3-methylphenyl)pyrimidin-4-amine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
6-cyclopropyl-2-(3-methylphenyl)pyrimidin-4-amine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
[6-cyclopropyl-2-(m-tolyl)pyrimidin-4-yl]amine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C14H15N3/c1-9-3-2-4-11(7-9)14-16-12(10-5-6-10)8-13(15)17-14/h2-4,7-8,10H,5-6H2,1H3,(H2,15,16,17)

> <PUBCHEM_IUPAC_INCHIKEY>
XMKIRXCOSGXUOY-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.5

> <PUBCHEM_EXACT_MASS>
225.126597491

> <PUBCHEM_MOLECULAR_FORMULA>
C14H15N3

> <PUBCHEM_MOLECULAR_WEIGHT>
225.29

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=CC(=CC=C1)C2=NC(=CC(=N2)N)C3CC3

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=CC(=CC=C1)C2=NC(=CC(=N2)N)C3CC3

> <PUBCHEM_CACTVS_TPSA>
51.8

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
225.126597491

> <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>
1  7  8
1  9  8
11  12  8
11  13  8
12  14  8
13  15  8
14  16  8
15  16  8
2  10  8
2  9  8
7  8  8
8  10  8

$$$$