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4-(2-methylpyridin-3-yloxy)-6-chloro-5-methylpyrimidine
4-(2-methylpyridin-3-yloxy)-6-chloro-5-methylpyrimidine
ID: BP-11959
Supplier:BroadPharm

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SMILES:c1(c(c(ncn1)Cl)C)Oc1c(nccc1)C	
FORMULA: C11H10ClN3O
MASS: 235.6696
EXACT MASS: 235.0512396
INTERATOMIC DISTANCES

              C   1      C   2      C   3      N   4      O   5      N   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.6010     0.0000 
   C   3    1.0417     0.6011     0.0000 
   N   4    0.6000     1.0398     1.2021     0.0000 
   O   5    0.5975     1.0375     1.5870     1.0378     0.0000 
   N   6    1.2021     1.0399     0.6000     1.0417     1.7996     0.0000 
   C   7    1.0375     1.5869     2.0792     1.1985     0.6010     2.1640 
   C   8    1.0398     1.2000     1.0399     0.6010     1.5863     0.6011 
   N   9    2.0750     2.6131     3.1167     2.1600     1.5869     3.1739 
   C  10    1.5829     2.0750     2.6132     1.7960     1.0375     2.7475 
  Cl  11    1.5869     1.0375     0.5974     1.7995     2.0750     1.0377 
   C  12    1.0362     0.5958     1.0362     1.5839     1.1964     1.5839 
   C  13    1.1985     1.7995     2.1640     1.0375     1.0398     2.0792 
   C  14    2.1600     2.7474     3.1739     2.0750     1.7995     3.1167 
   C  15    1.7960     2.1600     2.7475     2.1600     1.1985     2.9981 
   C  16    1.7960     2.3970     2.7475     1.5829     1.5863     2.6132 

              C   7      C   8      N   9      C  10     Cl  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    1.7995     0.0000 
   N   9    1.0375     2.7474     0.0000 
   C  10    0.5975     2.3970     0.6010     0.0000 
  Cl  11    2.6131     1.5863     3.6457     3.1125     0.0000 
   C  12    1.7974     1.7958     2.7460     2.1588     1.1964     0.0000 
   C  13    0.6000     1.5869     1.1985     1.0378     2.7474     2.1600 
   C  14    1.1985     2.6131     0.6000     1.0398     3.7431     2.9959 
   C  15    1.0378     2.7469     1.0398     0.6000     3.1698     2.0750 
   C  16    1.0378     2.0750     1.0398     1.2000     3.3358     2.7442 

              C  13      C  14      C  15      C  16
              --------------------------------------------
   C  13    0.0000 
   C  14    1.0375     0.0000 
   C  15    1.5865     1.5878     0.0000 
   C  16    0.5975     0.6010     1.8000     0.0000 



ATOMIC CHARGES
   C   1    0.2293160485
   C   2    0.0601363365
   C   3    0.1405704008
   N   4   -0.1892215082
   O   5   -0.4351170990
   N   6   -0.2125002320
   C   7    0.1605978581
   C   8    0.2023038308
   N   9   -0.2450813009
   C  10    0.0937892864
  Cl  11   -0.0614561420
   C  12    0.0384610882
   C  13    0.0403745768
   C  14    0.0986645110
   C  15    0.0553711752
   C  16    0.0237911698


BOND ANGLES
   2    1    4  Car  Car  Nar    119.944
   2    1    5  Car  Car   O3    119.917
   4    1    5  Nar  Car   O3    120.140
   1    2    3  Car  Car  Car    120.118
   1    2   12  Car  Car   C3    119.944
   3    2   12  Car  Car   C3    119.939
   2    3   11  Car  Car   Cl    119.917
   2    3    6  Car  Car  Nar    119.939
   6    3   11  Nar  Car   Cl    120.145
   1    4    8  Car  Nar  Car    119.944
   1    5    7  Car   O3  Car    119.917
   3    6    8  Car  Nar  Car    119.939
   5    7   10   O3  Car  Car    119.917
   5    7   13   O3  Car  Car    119.944
  10    7   13  Car  Car  Car    120.140
   4    8    6  Nar  Car  Nar    120.118
  10    9   14  Car  Nar  Car    119.944
   7   10    9  Car  Car  Nar    119.917
   9   10   15  Nar  Car   C3    119.944
   7   10   15  Car  Car   C3    120.140
   7   13   16  Car  Car  Car    120.140
   9   14   16  Nar  Car  Car    119.944
  13   16   14  Car  Car  Car    119.917


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