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6-chloro-5-methyl-1H-pyrimidine-2,4-dione
6-chloro-5-methyl-1H-pyrimidine-2,4-dione ID: AN-49569
CAS:1627-28-7
Supplier:AN PharmaTech Co Ltd

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SMILES:Clc1[nH]c(=O)[nH]c(=O)c1C	3014023
FORMULA: C5H5ClN2O2
MASS: 160.5584
EXACT MASS: 160.0039551
INTERATOMIC DISTANCES

             Cl   1      O   2      O   3      N   4      N   5      C   6
              ------------------------------------------------------------------
  Cl   1    0.0000 
   O   2    3.4641     0.0000 
   O   3    3.4641     3.4641     0.0000 
   N   4    1.7320     3.0000     1.7321     0.0000 
   N   5    3.0000     1.7321     1.7320     1.7321     0.0000 
   C   6    1.7320     1.7320     3.0000     1.7320     1.7321     0.0000 
   C   7    1.0000     2.6457     2.6458     1.0000     2.0000     1.0000 
   C   8    2.6457     1.0000     2.6458     2.0000     1.0001     1.0000 
   C   9    2.0000     2.0000     4.0000     2.6457     2.6458     1.0000 
   C  10    2.6458     2.6458     1.0000     1.0001     1.0000     2.0000 
   H  11    1.8396     3.6200     1.8397     0.6200     2.2901     2.2901 
   H  12    3.6200     1.8397     1.8397     2.2901     0.6200     2.2901 
   H  13    2.5558     1.4955     4.0477     2.9083     2.5121     1.1766 
   H  14    2.3716     2.3715     4.6200     3.2379     3.2380     1.6199 
   H  15    1.4956     2.5557     4.0478     2.5121     2.9083     1.1766 

              C   7      C   8      C   9      C  10      H  11      H  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    1.7320     0.0000 
   C   9    1.7320     1.7320     0.0000 
   C  10    1.7321     1.7321     3.0000     0.0000 
   H  11    1.4158     2.6200     3.1407     1.4158     0.0000 
   H  12    2.6200     1.4158     3.1408     1.4158     2.8059     0.0000 
   H  13    2.1114     1.5200     0.6200     3.0634     3.4624     2.9170 
   H  14    2.2900     2.2900     0.6200     3.6200     3.7058     3.7058 
   H  15    1.5200     2.1114     0.6200     3.0634     2.9170     3.4624 

              H  13      H  14      H  15
              ---------------------------------
   H  13    0.0000 
   H  14    0.8768     0.0000 
   H  15    1.2399     0.8768     0.0000 



ATOMIC CHARGES
  Cl   1   -0.0634836440
   O   2   -0.2673888746
   O   3   -0.2466556423
   N   4   -0.2980685209
   N   5   -0.2748105724
   C   6    0.0488087747
   C   7    0.1185947907
   C   8    0.2582731589
   C   9   -0.0317360503
   C  10    0.3277896374
   H  11    0.1712108415
   H  12    0.1734322680
   H  13    0.0280112778
   H  14    0.0280112778
   H  15    0.0280112778


BOND ANGLES
   7    4   10  Car  Nar  Car    120.001
   7    4   11  Car  Nar   HC    120.001
  10    4   11  Car  Nar   HC    119.998
   8    5   10  Car  Nar  Car    119.998
   8    5   12  Car  Nar   HC    120.000
  10    5   12  Car  Nar   HC    120.002
   7    6    8  Car  Car  Car    120.001
   7    6    9  Car  Car   C3    120.001
   8    6    9  Car  Car   C3    119.999
   1    7    4   Cl  Car  Nar    119.999
   1    7    6   Cl  Car  Car    120.001
   4    7    6  Nar  Car  Car    120.001
   2    8    5   O2  Car  Nar    119.998
   2    8    6   O2  Car  Car    120.001
   5    8    6  Nar  Car  Car    120.001
   6    9   13  Car   C3   HC     89.999
   6    9   14  Car   C3   HC    179.974
   6    9   15  Car   C3   HC     90.001
  13    9   14   HC   C3   HC     90.000
  13    9   15   HC   C3   HC    179.974
  14    9   15   HC   C3   HC     90.000
   3   10    4   O2  Car  Nar    120.001
   3   10    5   O2  Car  Nar    120.001
   4   10    5  Nar  Car  Nar    119.998


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