66762
  -OEChem-05112408432D

 20 20  0     0  0  0  0  0  0999 V2000
    4.2690   -1.3450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.1550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    1.6550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -1.3450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    0.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9264    0.7627    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3249    0.0724    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.2750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6910   -1.8819    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380   -1.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3110   -0.8081    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0739    1.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -1.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.0350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  2  0  0  0  0
  1  9  1  0  0  0  0
  2  8  1  0  0  0  0
  2  9  2  0  0  0  0
  3  6  1  0  0  0  0
  3 17  1  0  0  0  0
  3 18  1  0  0  0  0
  4  7  1  0  0  0  0
  4 19  1  0  0  0  0
  4 20  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 11  1  0  0  0  0
  6 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 10  1  0  0  0  0
 10 14  1  0  0  0  0
 10 15  1  0  0  0  0
 10 16  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
66762

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
106

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBjgAAAAAAAAAAAAAAAAAAAAAAAAAAsAAAAAAAAAAABgAAAHAAQAAAADADBGwQvsJZIEACgAhJnZACAgCkRAKABUKA4RBCACIBASUAEBAgIAALAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
5-(aminomethyl)-2-methyl-pyrimidin-4-amine

> <PUBCHEM_IUPAC_CAS_NAME>
5-(aminomethyl)-2-methyl-4-pyrimidinamine

> <PUBCHEM_IUPAC_NAME_MARKUP>
5-(aminomethyl)-2-methylpyrimidin-4-amine

> <PUBCHEM_IUPAC_NAME>
5-(aminomethyl)-2-methylpyrimidin-4-amine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
5-(aminomethyl)-2-methyl-pyrimidin-4-amine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
[5-(aminomethyl)-2-methyl-pyrimidin-4-yl]amine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C6H10N4/c1-4-9-3-5(2-7)6(8)10-4/h3H,2,7H2,1H3,(H2,8,9,10)

> <PUBCHEM_IUPAC_INCHIKEY>
OZOHTVFCSKFMLL-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
-0.3

> <PUBCHEM_EXACT_MASS>
138.090546336

> <PUBCHEM_MOLECULAR_FORMULA>
C6H10N4

> <PUBCHEM_MOLECULAR_WEIGHT>
138.17

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=NC=C(C(=N1)N)CN

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=NC=C(C(=N1)N)CN

> <PUBCHEM_CACTVS_TPSA>
77.8

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
138.090546336

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
10

> <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
2  8  8
2  9  8
5  7  8
5  8  8

$$$$