63353488
  -OEChem-05102422132D

 32 34  0     0  0  0  0  0  0999 V2000
    4.7320   -1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981    0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320    2.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -1.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4641   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3301   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4641   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1962   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3301   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1962   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8395   -0.4011    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8923   -0.3894    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4174   -1.2120    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0250   -2.2646    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9750   -2.2646    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3291    0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1951    2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3301    0.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9272   -2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9081    1.9631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1350    2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2881    3.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7331   -0.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3301   -3.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7331   -2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 10  2  0  0  0  0
  2  9  2  0  0  0  0
  2 10  1  0  0  0  0
  3  9  1  0  0  0  0
  3 14  1  0  0  0  0
  3 24  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  9  1  0  0  0  0
  8 23  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 12 15  1  0  0  0  0
 12 25  1  0  0  0  0
 13 16  2  0  0  0  0
 13 26  1  0  0  0  0
 14 27  1  0  0  0  0
 14 28  1  0  0  0  0
 14 29  1  0  0  0  0
 15 17  2  0  0  0  0
 15 30  1  0  0  0  0
 16 17  1  0  0  0  0
 16 31  1  0  0  0  0
 17 32  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
63353488

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
246

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzAAAAAAAAAAAAAAAAGAAAAAAAAAA8QAAAAAAAAAABwAAAHAAQAAAADQiBHwQzsJbIEACgAyZiZACCgCkhAqAJmKA4ZJiIKKLA2dGEJAhokALIyCcQgAAOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
6-cyclopropyl-N-methyl-2-phenyl-pyrimidin-4-amine

> <PUBCHEM_IUPAC_CAS_NAME>
6-cyclopropyl-N-methyl-2-phenyl-4-pyrimidinamine

> <PUBCHEM_IUPAC_NAME_MARKUP>
6-cyclopropyl-<I>N</I>-methyl-2-phenylpyrimidin-4-amine

> <PUBCHEM_IUPAC_NAME>
6-cyclopropyl-N-methyl-2-phenylpyrimidin-4-amine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
6-cyclopropyl-N-methyl-2-phenyl-pyrimidin-4-amine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(6-cyclopropyl-2-phenyl-pyrimidin-4-yl)-methyl-amine

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

> <PUBCHEM_IUPAC_INCHIKEY>
MLWXSLAQAUNWFI-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.8

> <PUBCHEM_EXACT_MASS>
225.126597491

> <PUBCHEM_MOLECULAR_FORMULA>
C14H15N3

> <PUBCHEM_MOLECULAR_WEIGHT>
225.29

> <PUBCHEM_OPENEYE_CAN_SMILES>
CNC1=NC(=NC(=C1)C2CC2)C3=CC=CC=C3

> <PUBCHEM_OPENEYE_ISO_SMILES>
CNC1=NC(=NC(=C1)C2CC2)C3=CC=CC=C3

> <PUBCHEM_CACTVS_TPSA>
37.8

> <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  10  8
1  7  8
11  12  8
11  13  8
12  15  8
13  16  8
15  17  8
16  17  8
2  10  8
2  9  8
7  8  8
8  9  8

$$$$