65421309
  -OEChem-04252411382D

 32 34  0     1  0  0  0  0  0999 V2000
    5.4641   -0.7220    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.7780    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.2780    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6962   -1.5880    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.1962   -0.7220    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.1962   -0.7220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6962   -2.5880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.2220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.2220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.2780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.7780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.7220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.2220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.7220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.7220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.2220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.7220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0973   -1.7485    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7578   -1.1604    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7788   -0.9340    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3038   -0.1114    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0762   -2.5880    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6962   -3.2080    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3162   -2.5880    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    1.0880    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272    2.5880    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    2.5880    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.3980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.0320    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.4120    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.8420    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.0320    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  2  0  0  0  0
  1  9  1  0  0  0  0
  2  8  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  8  1  0  0  0  0
  5 19  1  0  0  0  0
  6 20  1  0  0  0  0
  6 21  1  0  0  0  0
  7 22  1  0  0  0  0
  7 23  1  0  0  0  0
  7 24  1  0  0  0  0
  9 11  2  0  0  0  0
  9 12  1  0  0  0  0
 10 11  1  0  0  0  0
 11 25  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 28  1  0  0  0  0
 14 16  2  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>
65421309

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
262

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzAAAAAAAAAAAAAAAAGAAAAAAAAAA8QAAAAAAAAAABwAAAHAAQAAAADQiBHwAzsJZIEACgAyZiZACCgCkhAqAJmCAwZJiIKKLA2dGEJAhokALIyCcQgIAOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-(2-methylcyclopropyl)-6-phenyl-pyrimidin-4-amine

> <PUBCHEM_IUPAC_CAS_NAME>
2-(2-methylcyclopropyl)-6-phenyl-4-pyrimidinamine

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-(2-methylcyclopropyl)-6-phenylpyrimidin-4-amine

> <PUBCHEM_IUPAC_NAME>
2-(2-methylcyclopropyl)-6-phenylpyrimidin-4-amine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-(2-methylcyclopropyl)-6-phenyl-pyrimidin-4-amine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
[2-(2-methylcyclopropyl)-6-phenyl-pyrimidin-4-yl]amine

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

> <PUBCHEM_IUPAC_INCHIKEY>
UVAZXGRJXMIIAZ-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>
CC1CC1C2=NC(=CC(=N2)N)C3=CC=CC=C3

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1CC1C2=NC(=CC(=N2)N)C3=CC=CC=C3

> <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>
2

> <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  8  8
1  9  8
10  11  8
12  13  8
12  14  8
13  15  8
14  16  8
15  17  8
16  17  8
2  10  8
2  8  8
4  7  3
5  8  3
9  11  8

$$$$