Sign In Join Free

Products Information

4,6-bis(difluoromethoxy)pyrimidin-2-amine
4,6-bis(difluoromethoxy)pyrimidin-2-amine ID: AN-35619
CAS:86209-44-1
Supplier:AN PharmaTech Co Ltd

Get a quote


SMILES:FC(F)Oc1nc(nc(OC(F)F)c1)N	13491823
FORMULA: C6H5F4N3O2
MASS: 227.1164
EXACT MASS: 227.0317893
INTERATOMIC DISTANCES

              F   1      F   2      F   3      F   4      O   5      O   6
              ------------------------------------------------------------------
   F   1    0.0000 
   F   2    1.7320     0.0000 
   F   3    5.1962     3.4641     0.0000 
   F   4    3.4641     1.7321     1.7320     0.0000 
   O   5    1.7321     1.7321     4.5826     3.0000     0.0000 
   O   6    4.5826     3.0000     1.7320     1.7320     3.4641     0.0000 
   N   7    3.4641     3.0000     4.5826     3.4641     1.7320     3.0000 
   N   8    4.5826     3.4641     3.4641     2.9999     2.9999     1.7320 
   N   9    5.1962     4.5826     5.1962     4.5826     3.4641     3.4641 
   C  10    2.6458     2.0000     4.0000     2.6457     1.0000     2.6457 
   C  11    4.0000     2.6458     2.6457     2.0000     2.6457     1.0000 
   C  12    3.0000     1.7321     3.0000     1.7320     1.7320     1.7320 
   C  13    4.3589     3.6055     4.3589     3.6055     2.6457     2.6457 
   C  14    1.0000     1.0000     4.3589     2.6458     1.0001     3.6056 
   C  15    4.3589     2.6458     1.0000     1.0000     3.6055     1.0000 
   H  16    2.7430     1.2347     2.7431     1.2346     1.8397     1.8397 
   H  17    1.6200     0.8743     3.8787     2.2146     0.8743     3.0074 
   H  18    3.8787     2.2146     1.6200     0.8743     3.0074     0.8743 
   H  19    5.7415     5.0105     5.2330     4.8212     4.0130     3.5192 
   H  20    5.2331     4.8213     5.7415     5.0104     3.5191     4.0131 

              N   7      N   8      N   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   N   7    0.0000 
   N   8    1.7320     0.0000 
   N   9    1.7321     1.7321     0.0000 
   C  10    1.0000     2.0000     2.6458     0.0000 
   C  11    2.0000     1.0000     2.6458     1.7320     0.0000 
   C  12    1.7320     1.7320     3.0000     1.0000     1.0000     0.0000 
   C  13    1.0000     1.0000     1.0001     1.7320     1.7320     2.0000 
   C  14    2.6458     3.6055     4.3590     1.7321     3.0000     2.0000 
   C  15    3.6055     2.6457     4.3589     3.0000     1.7320     2.0000 
   H  16    2.2901     2.2901     3.6201     1.4158     1.4158     0.6201 
   H  17    2.2146     3.0073     3.8787     1.2347     2.3800     1.3800 
   H  18    3.0074     2.2145     3.8787     2.3800     1.2346     1.3800 
   H  19    2.2901     1.8397     0.6200     3.1408     2.8292     3.3533 
   H  20    1.8397     2.2901     0.6200     2.8292     3.1408     3.3533 

              C  13      C  14      C  15      H  16      H  17      H  18
              ------------------------------------------------------------------
   C  13    0.0000 
   C  14    3.4641     0.0000 
   C  15    3.4641     3.4641     0.0000 
   H  16    2.6200     1.7732     1.7733     0.0000 
   H  17    2.9435     0.6201     2.9435     1.1971     0.0000 
   H  18    2.9435     2.9436     0.6200     1.1972     2.3902     0.0000 
   H  19    1.4158     4.8708     4.4726     3.9666     4.3589     4.0538 
   H  20    1.4158     4.4727     4.8708     3.9666     4.0538     4.3589 

              H  19      H  20
              ----------------------
   H  19    0.0000 
   H  20    1.0739     0.0000 



ATOMIC CHARGES
   F   1   -0.1662518608
   F   2   -0.1662518608
   F   3   -0.1662518608
   F   4   -0.1662518608
   O   5   -0.4164841537
   O   6   -0.4164841537
   N   7   -0.1793294011
   N   8   -0.1793294011
   N   9   -0.3273075922
   C  10    0.2278963405
   C  11    0.2278963405
   C  12    0.0619488773
   C  13    0.2187475613
   C  14    0.3903178467
   C  15    0.3903178467
   H  16    0.0724477069
   H  17    0.1520285013
   H  18    0.1520285013
   H  19    0.1451563113
   H  20    0.1451563113


BOND ANGLES
  10    5   14  Car   O3   C3    120.001
  11    6   15  Car   O3   C3    120.001
  10    7   13  Car  Nar  Car    119.999
  11    8   13  Car  Nar  Car    120.001
  13    9   19  Car  Npl   HC    120.000
  13    9   20  Car  Npl   HC    119.998
  19    9   20   HC  Npl   HC    120.002
   5   10    7   O3  Car  Nar    119.999
   5   10   12   O3  Car  Car    120.001
   7   10   12  Nar  Car  Car    120.001
   6   11    8   O3  Car  Nar    120.001
   6   11   12   O3  Car  Car    120.001
   8   11   12  Nar  Car  Car    119.999
  10   12   11  Car  Car  Car    120.001
  10   12   16  Car  Car   HC    119.997
  11   12   16  Car  Car   HC    120.002
   7   13    8  Nar  Car  Nar    120.001
   7   13    9  Nar  Car  Npl    120.001
   8   13    9  Nar  Car  Npl    119.998
   1   14    2    F   C3    F    120.001
   1   14    5    F   C3   O3    120.001
   1   14   17    F   C3   HC    179.974
   2   14    5    F   C3   O3    119.998
   2   14   17    F   C3   HC     60.003
   5   14   17   O3   C3   HC     59.995
   3   15    4    F   C3    F    120.001
   3   15    6    F   C3   O3    120.001
   3   15   18    F   C3   HC    179.974
   4   15    6    F   C3   O3    119.999
   4   15   18    F   C3   HC     59.999
   6   15   18   O3   C3   HC     59.999


TORSION ANGLES
  14    5   10    7    179.974
  14    5   10   12      0.026
  10    5   14    1    179.974
  10    5   14    2      0.026
  10    5   14   17      0.026
  15    6   11    8    179.974
  15    6   11   12      0.026
  11    6   15    3    179.974
  11    6   15    4      0.026
  11    6   15   18      0.026
  13    7   10    5    179.974
  13    7   10   12      0.026
  10    7   13    8      0.026
  10    7   13    9    179.974
  13    8   11    6    179.974
  13    8   11   12      0.026
  11    8   13    7      0.026
  11    8   13    9    179.974
  19    9   13    7    179.974
  19    9   13    8      0.026
  20    9   13    7      0.026
  20    9   13    8    179.974
   5   10   12   11    179.974
   5   10   12   16      0.026
   7   10   12   11      0.026
   7   10   12   16    179.974
   6   11   12   10    179.974
   6   11   12   16      0.026
   8   11   12   10      0.026
   8   11   12   16    179.974