49795432
  -OEChem-05142415022D

 32 33  0     0  0  0  0  0  0999 V2000
    2.5369    0.5670    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.5670    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    0.5670    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -0.9330    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5453   -1.2377    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    1.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7690   -0.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7690    1.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -0.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    0.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -1.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5453    0.3717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1289   -0.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7365   -0.4080    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5335   -0.4080    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8015    1.5419    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0044    1.5419    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2320    0.0110    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4590   -0.8360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3059   -0.6090    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3059    1.1230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0790    1.9700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2320    1.7430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.1870    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.8770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.2430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -2.0530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7379    0.9610    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7489   -0.4330    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 28  1  0  0  0  0
  2  7  1  0  0  0  0
  2 11  1  0  0  0  0
  2 27  1  0  0  0  0
  3 11  2  0  0  0  0
  3 13  1  0  0  0  0
  4  5  1  0  0  0  0
  4 13  1  0  0  0  0
  4 14  1  0  0  0  0
  5 16  2  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 17  1  0  0  0  0
  7 18  1  0  0  0  0
  8 19  1  0  0  0  0
  8 20  1  0  0  0  0
  9 21  1  0  0  0  0
  9 22  1  0  0  0  0
  9 23  1  0  0  0  0
 10 24  1  0  0  0  0
 10 25  1  0  0  0  0
 10 26  1  0  0  0  0
 11 12  1  0  0  0  0
 12 14  2  0  0  0  0
 12 29  1  0  0  0  0
 13 15  2  0  0  0  0
 14 30  1  0  0  0  0
 15 16  1  0  0  0  0
 15 31  1  0  0  0  0
 16 32  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
49795432

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
234

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBzoAAAAAAAAAAAAAAAAAAAAWAAAAAsAAAAAAAAAFgB4AAAHgAYCAAADgDhkwY/sJ7IEgCiADJnZACQhCsRgqAdUKA4ZBCAGMBASEAExAgKGALAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2,2-dimethyl-3-(pyrazolo[1,5-a]pyrimidin-5-ylamino)propan-1-ol

> <PUBCHEM_IUPAC_CAS_NAME>
2,2-dimethyl-3-(5-pyrazolo[1,5-a]pyrimidinylamino)-1-propanol

> <PUBCHEM_IUPAC_NAME_MARKUP>
2,2-dimethyl-3-(pyrazolo[1,5-a]pyrimidin-5-ylamino)propan-1-ol

> <PUBCHEM_IUPAC_NAME>
2,2-dimethyl-3-(pyrazolo[1,5-a]pyrimidin-5-ylamino)propan-1-ol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2,2-dimethyl-3-(pyrazolo[1,5-a]pyrimidin-5-ylamino)propan-1-ol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2,2-dimethyl-3-(pyrazolo[1,5-a]pyrimidin-5-ylamino)propan-1-ol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C11H16N4O/c1-11(2,8-16)7-12-9-4-6-15-10(14-9)3-5-13-15/h3-6,16H,7-8H2,1-2H3,(H,12,14)

> <PUBCHEM_IUPAC_INCHIKEY>
CCKDTCGKFUNJDW-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.7

> <PUBCHEM_EXACT_MASS>
220.13241115

> <PUBCHEM_MOLECULAR_FORMULA>
C11H16N4O

> <PUBCHEM_MOLECULAR_WEIGHT>
220.27

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(C)(CNC1=NC2=CC=NN2C=C1)CO

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(C)(CNC1=NC2=CC=NN2C=C1)CO

> <PUBCHEM_CACTVS_TPSA>
62.4

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
220.13241115

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
16

> <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>
11  12  8
12  14  8
13  15  8
15  16  8
3  11  8
3  13  8
4  13  8
4  14  8
4  5  8
5  16  8

$$$$