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2-chloro-6-(trifluoromethyl)pyrimidin-4-amine
2-chloro-6-(trifluoromethyl)pyrimidin-4-amine ID: AN-35653
CAS:85730-36-5
Supplier:AN PharmaTech Co Ltd

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SMILES:Clc1nc(cc(n1)N)C(F)(F)F	13086908
FORMULA: C5H3ClF3N3
MASS: 197.5456
EXACT MASS: 196.9967595
INTERATOMIC DISTANCES

             Cl   1      F   2      F   3      F   4      N   5      N   6
              ------------------------------------------------------------------
  Cl   1    0.0000 
   F   2    4.3589     0.0000 
   F   3    4.0576     1.4142     0.0000 
   F   4    3.0880     1.4142     2.0000     0.0000 
   N   5    1.7320     2.6458     2.3942     1.5060     0.0000 
   N   6    1.7320     4.0000     3.1623     3.1623     1.7320     0.0000 
   N   7    3.4641     4.3589     3.0881     4.0576     3.0000     1.7320 
   C   8    2.6458     2.0000     1.4142     1.4142     1.0001     2.0000 
   C   9    3.0000     2.6457     1.5060     2.3941     1.7321     1.7321 
   C  10    3.4641     1.0000     1.0000     1.0000     1.7321     3.0000 
   C  11    2.6457     3.6056     2.5036     3.1196     2.0000     1.0000 
   C  12    1.0000     3.6055     3.1196     2.5036     1.0000     1.0000 
   H  13    3.6200     2.6008     1.2564     2.6815     2.2901     2.2901 
   H  14    3.5191     4.9340     3.6933     4.5352     3.3533     1.8397 
   H  15    4.0130     4.3318     2.9743     4.2335     3.3533     2.2901 

              N   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   N   7    0.0000 
   C   8    2.6458     0.0000 
   C   9    1.7321     1.0000     0.0000 
   C  10    3.4641     1.0000     1.7320     0.0000 
   C  11    1.0000     1.7321     1.0001     2.6458     0.0000 
   C  12    2.6457     1.7321     2.0000     2.6458     1.7320     0.0000 
   H  13    1.8397     1.4158     0.6200     1.8397     1.4158     2.6200 
   H  14    0.6200     3.1408     2.2901     4.0130     1.4158     2.8292 
   H  15    0.6201     2.8292     1.8397     3.5191     1.4158     3.1408 

              H  13      H  14      H  15
              ---------------------------------
   H  13    0.0000 
   H  14    2.4522     0.0000 
   H  15    1.7320     1.0739     0.0000 



ATOMIC CHARGES
  Cl   1   -0.0409911865
   F   2   -0.1644179481
   F   3   -0.1644179481
   F   4   -0.1644179481
   N   5   -0.2133095110
   N   6   -0.2028611398
   N   7   -0.3430039379
   C   8    0.1499803401
   C   9    0.0080687059
   C  10    0.4344209759
   C  11    0.1213670219
   C  12    0.2249035810
   H  13    0.0672621160
   H  14    0.1437084394
   H  15    0.1437084394


BOND ANGLES
   8    5   12  Car  Nar  Car    120.001
  11    6   12  Car  Nar  Car    120.001
  11    7   14  Car  Npl   HC    120.002
  11    7   15  Car  Npl   HC    119.997
  14    7   15   HC  Npl   HC    120.001
   5    8    9  Nar  Car  Car    119.998
   5    8   10  Nar  Car   C3    120.001
   9    8   10  Car  Car   C3    120.001
   8    9   11  Car  Car  Car    119.998
   8    9   13  Car  Car   HC    120.002
  11    9   13  Car  Car   HC    120.000
   2   10    3    F   C3    F     90.000
   2   10    4    F   C3    F     90.000
   2   10    8    F   C3  Car    179.974
   3   10    4    F   C3    F    179.974
   3   10    8    F   C3  Car     90.000
   4   10    8    F   C3  Car     90.000
   6   11    7  Nar  Car  Npl    120.001
   6   11    9  Nar  Car  Car    120.001
   7   11    9  Npl  Car  Car    119.998
   1   12    5   Cl  Car  Nar    119.999
   1   12    6   Cl  Car  Nar    120.001
   5   12    6  Nar  Car  Nar    120.001


TORSION ANGLES
  12    5    8    9      0.026
  12    5    8   10    179.974
   8    5   12    1    179.974
   8    5   12    6      0.026
  12    6   11    7    179.974
  12    6   11    9      0.026
  11    6   12    1    179.974
  11    6   12    5      0.026
  14    7   11    6      0.026
  14    7   11    9    179.974
  15    7   11    6    179.974
  15    7   11    9      0.026
   5    8    9   11      0.026
   5    8    9   13    179.974
  10    8    9   11    179.974
  10    8    9   13      0.026
   5    8   10    2    180.000
   5    8   10    3    179.974
   5    8   10    4      0.026
   9    8   10    2    180.000
   9    8   10    3      0.026
   9    8   10    4    179.974
   8    9   11    6      0.026
   8    9   11    7    179.974
  13    9   11    6    179.974
  13    9   11    7      0.026