69300660
  -OEChem-04192413492D

 60 63  0     0  0  0  0  0  0999 V2000
   11.5263    1.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1244    0.3450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.1550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.1550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.1550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.3450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.8450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923    1.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2583    1.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923    0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1244    1.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2583   -0.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9904   -0.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    1.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    1.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    1.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -0.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8554    1.0350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6569    2.3200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8598    2.3200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7817    0.4527    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1803   -0.2376    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7349    1.2373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.3364    1.9276    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8598   -0.6299    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6569   -0.6299    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.6804   -0.6919    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.5273   -0.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.3004    0.3819    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    2.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972    0.0350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3913    1.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -0.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101   -1.7376    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087   -1.0473    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    0.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.5350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.3450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    3.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    3.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 15  1  0  0  0  0
  2 29  2  0  0  0  0
  3 12  1  0  0  0  0
  3 13  1  0  0  0  0
  3 14  1  0  0  0  0
  4 20  1  0  0  0  0
  4 21  1  0  0  0  0
  4 49  1  0  0  0  0
  5 22  1  0  0  0  0
  5 23  1  0  0  0  0
  5 52  1  0  0  0  0
  6 21  1  0  0  0  0
  6 22  2  0  0  0  0
  7 21  2  0  0  0  0
  7 26  1  0  0  0  0
  8 29  1  0  0  0  0
  8 59  1  0  0  0  0
  8 60  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 33  1  0  0  0  0
 10 12  1  0  0  0  0
 10 34  1  0  0  0  0
 10 35  1  0  0  0  0
 11 13  1  0  0  0  0
 11 36  1  0  0  0  0
 11 37  1  0  0  0  0
 12 38  1  0  0  0  0
 12 39  1  0  0  0  0
 13 40  1  0  0  0  0
 13 41  1  0  0  0  0
 14 42  1  0  0  0  0
 14 43  1  0  0  0  0
 14 44  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 45  1  0  0  0  0
 17 19  2  0  0  0  0
 17 46  1  0  0  0  0
 18 20  2  0  0  0  0
 18 47  1  0  0  0  0
 19 20  1  0  0  0  0
 19 48  1  0  0  0  0
 22 25  1  0  0  0  0
 23 24  1  0  0  0  0
 23 50  1  0  0  0  0
 23 51  1  0  0  0  0
 24 27  2  0  0  0  0
 24 28  1  0  0  0  0
 25 26  2  0  0  0  0
 25 29  1  0  0  0  0
 26 53  1  0  0  0  0
 27 30  1  0  0  0  0
 27 54  1  0  0  0  0
 28 31  2  0  0  0  0
 28 55  1  0  0  0  0
 30 32  2  0  0  0  0
 30 56  1  0  0  0  0
 31 32  1  0  0  0  0
 31 57  1  0  0  0  0
 32 58  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
69300660

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
571

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
7

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
8

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7sAAAAAAAAAAAAAAAAAAAAAAAAAA8eIEAAAAAAAAB0AAAHgAQAAAADBzhmgY/9pfIFACoAjd3dACCiCk1IqAJ2KEubNiMLqrE+duGPKju0BPI6OewwAAOAEAAAAAAAAAAgAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
4-(benzylamino)-2-[4-[(1-methyl-4-piperidyl)oxy]anilino]pyrimidine-5-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
2-[4-[(1-methyl-4-piperidinyl)oxy]anilino]-4-[(phenylmethyl)amino]-5-pyrimidinecarboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
4-(benzylamino)-2-[4-(1-methylpiperidin-4-yl)oxyanilino]pyrimidine-5-carboxamide

> <PUBCHEM_IUPAC_NAME>
4-(benzylamino)-2-[4-(1-methylpiperidin-4-yl)oxyanilino]pyrimidine-5-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-[[4-(1-methylpiperidin-4-yl)oxyphenyl]amino]-4-[(phenylmethyl)amino]pyrimidine-5-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
4-(benzylamino)-2-[4-[(1-methyl-4-piperidyl)oxy]anilino]pyrimidine-5-carboxamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C24H28N6O2/c1-30-13-11-20(12-14-30)32-19-9-7-18(8-10-19)28-24-27-16-21(22(25)31)23(29-24)26-15-17-5-3-2-4-6-17/h2-10,16,20H,11-15H2,1H3,(H2,25,31)(H2,26,27,28,29)

> <PUBCHEM_IUPAC_INCHIKEY>
AMKDPGLWPIZTEH-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.9

> <PUBCHEM_EXACT_MASS>
432.22737416

> <PUBCHEM_MOLECULAR_FORMULA>
C24H28N6O2

> <PUBCHEM_MOLECULAR_WEIGHT>
432.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
CN1CCC(CC1)OC2=CC=C(C=C2)NC3=NC=C(C(=N3)NCC4=CC=CC=C4)C(=O)N

> <PUBCHEM_OPENEYE_ISO_SMILES>
CN1CCC(CC1)OC2=CC=C(C=C2)NC3=NC=C(C(=N3)NCC4=CC=CC=C4)C(=O)N

> <PUBCHEM_CACTVS_TPSA>
105

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
432.22737416

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
32

> <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>
15  16  8
15  17  8
16  18  8
17  19  8
18  20  8
19  20  8
22  25  8
24  27  8
24  28  8
25  26  8
27  30  8
28  31  8
30  32  8
31  32  8
6  21  8
6  22  8
7  21  8
7  26  8

$$$$