70231149
  -OEChem-05132414572D

 32 34  0     0  0  0  0  0  0999 V2000
    5.5981   -0.6900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4641    0.8100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3301   -0.6900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -0.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000    0.6760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660   -0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320   -0.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320    0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4641   -0.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981    1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1962   -0.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0622   -0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1962    0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9282   -0.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0622    1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9282    0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8395   -0.7889    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9750    1.0745    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0250    1.0745    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4174    0.0221    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8923   -0.8006    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4675   -1.1650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2646   -1.1650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1951    1.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981    1.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3301   -1.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0622   -1.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6592    1.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4651   -0.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0622    1.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4651    1.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  2  0  0  0  0
  1 10  1  0  0  0  0
  2 10  2  0  0  0  0
  2 11  1  0  0  0  0
  3 10  1  0  0  0  0
  3 12  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  1  0  0  0  0
  7 23  1  0  0  0  0
  7 24  1  0  0  0  0
  8  9  1  0  0  0  0
  9 11  2  0  0  0  0
  9 25  1  0  0  0  0
 11 26  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>
70231149

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
234

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzAAAAAAAAAAAAAAAAGAAAAAAAAAA8QAAAAAAAAAABwAAAHAAQAAAADQjBFgQ90JbIEACgATRnZACCgCkxAqAJ2CA4ZJiIKKLA2dGEJAhokAJIyCcQgAAMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
4-(cyclopropylmethyl)-N-phenyl-pyrimidin-2-amine

> <PUBCHEM_IUPAC_CAS_NAME>
4-(cyclopropylmethyl)-N-phenyl-2-pyrimidinamine

> <PUBCHEM_IUPAC_NAME_MARKUP>
4-(cyclopropylmethyl)-<I>N</I>-phenylpyrimidin-2-amine

> <PUBCHEM_IUPAC_NAME>
4-(cyclopropylmethyl)-N-phenylpyrimidin-2-amine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
4-(cyclopropylmethyl)-N-phenyl-pyrimidin-2-amine

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C14H15N3/c1-2-4-12(5-3-1)16-14-15-9-8-13(17-14)10-11-6-7-11/h1-5,8-9,11H,6-7,10H2,(H,15,16,17)

> <PUBCHEM_IUPAC_INCHIKEY>
BMNSCEQMGZRCOV-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.5

> <PUBCHEM_EXACT_MASS>
225.126597491

> <PUBCHEM_MOLECULAR_FORMULA>
C14H15N3

> <PUBCHEM_MOLECULAR_WEIGHT>
225.29

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CC1CC2=NC(=NC=C2)NC3=CC=CC=C3

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CC1CC2=NC(=NC=C2)NC3=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  8  8
12  13  8
12  14  8
13  15  8
14  16  8
15  17  8
16  17  8
2  10  8
2  11  8
8  9  8
9  11  8

$$$$