154689
  -OEChem-05102419192D

 44 47  0     0  0  0  0  0  0999 V2000
    5.3147    1.3318    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5827   -1.6682    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487   -0.1682    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1270   -1.4729    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147   -1.6682    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1237    1.9196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5057    1.9196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8147    2.8706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8147    2.8706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6691   -1.2615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4782   -2.6627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.0046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -2.8706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147    0.3318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808   -0.1682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487   -1.1682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808   -1.1682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1270    0.1365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7106   -0.6682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4376   -2.4235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7106   -0.6682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4337    1.3826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6901    2.1718    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9393    2.1718    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1957    1.3826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4212    2.9995    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7499    3.4872    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8795    3.4872    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2083    2.9995    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9791   -0.7245    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1675   -0.8970    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5430   -3.2793    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0982   -2.6627    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5851   -1.5439    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4984   -2.3690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9336   -3.1228    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6916   -3.4603    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3196    0.7259    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8483   -2.6161    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6302   -3.0128    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0270   -2.2309    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7106   -1.2882    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3306   -0.6682    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7106   -0.0482    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  7  1  0  0  0  0
  1 14  1  0  0  0  0
  2 10  1  0  0  0  0
  2 11  1  0  0  0  0
  2 16  1  0  0  0  0
  3 14  2  0  0  0  0
  3 16  1  0  0  0  0
  4 17  1  0  0  0  0
  4 19  1  0  0  0  0
  4 20  1  0  0  0  0
  5 16  2  0  0  0  0
  5 17  1  0  0  0  0
  6  8  1  0  0  0  0
  6 22  1  0  0  0  0
  6 23  1  0  0  0  0
  7  9  1  0  0  0  0
  7 24  1  0  0  0  0
  7 25  1  0  0  0  0
  8  9  1  0  0  0  0
  8 26  1  0  0  0  0
  8 27  1  0  0  0  0
  9 28  1  0  0  0  0
  9 29  1  0  0  0  0
 10 12  1  0  0  0  0
 10 30  1  0  0  0  0
 10 31  1  0  0  0  0
 11 13  1  0  0  0  0
 11 32  1  0  0  0  0
 11 33  1  0  0  0  0
 12 13  1  0  0  0  0
 12 34  1  0  0  0  0
 12 35  1  0  0  0  0
 13 36  1  0  0  0  0
 13 37  1  0  0  0  0
 14 15  1  0  0  0  0
 15 17  2  0  0  0  0
 15 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 38  1  0  0  0  0
 19 21  1  0  0  0  0
 20 39  1  0  0  0  0
 20 40  1  0  0  0  0
 20 41  1  0  0  0  0
 21 42  1  0  0  0  0
 21 43  1  0  0  0  0
 21 44  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
154689

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
364

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7gAAAAAAAAAAAAAAAAAAAAWLFgAAsAAAAAAAAAFgB+AAAHAAAAAAADAjBHwQzsN8MEACgAyZiZACCgCkhAqAB2CA4ZJiIKOLA2dGEBAhogALIyCYQAAAMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
6,7-dimethyl-2,4-dipyrrolidin-1-yl-pyrrolo[2,3-d]pyrimidine

> <PUBCHEM_IUPAC_CAS_NAME>
6,7-dimethyl-2,4-bis(1-pyrrolidinyl)pyrrolo[2,3-d]pyrimidine

> <PUBCHEM_IUPAC_NAME_MARKUP>
6,7-dimethyl-2,4-dipyrrolidin-1-ylpyrrolo[2,3-d]pyrimidine

> <PUBCHEM_IUPAC_NAME>
6,7-dimethyl-2,4-dipyrrolidin-1-ylpyrrolo[2,3-d]pyrimidine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
6,7-dimethyl-2,4-dipyrrolidin-1-yl-pyrrolo[2,3-d]pyrimidine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
6,7-dimethyl-2,4-dipyrrolidino-pyrrolo[2,3-d]pyrimidine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C16H23N5/c1-12-11-13-14(19(12)2)17-16(21-9-5-6-10-21)18-15(13)20-7-3-4-8-20/h11H,3-10H2,1-2H3

> <PUBCHEM_IUPAC_INCHIKEY>
UADIKEUOAMACNA-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.9

> <PUBCHEM_EXACT_MASS>
285.19534575

> <PUBCHEM_MOLECULAR_FORMULA>
C16H23N5

> <PUBCHEM_MOLECULAR_WEIGHT>
285.39

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=CC2=C(N1C)N=C(N=C2N3CCCC3)N4CCCC4

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=CC2=C(N1C)N=C(N=C2N3CCCC3)N4CCCC4

> <PUBCHEM_CACTVS_TPSA>
37.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
285.19534575

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
21

> <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>
14  15  8
15  17  8
15  18  8
18  19  8
3  14  8
3  16  8
4  17  8
4  19  8
5  16  8
5  17  8

$$$$