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2-(3-aminophenyl)-N-o-tolylpyrimidin-4-amine
2-(3-aminophenyl)-N-o-tolylpyrimidin-4-amine
ID: BP-11966
Supplier:BroadPharm

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SMILES:n1c(c2cc(N)ccc2)nccc1Nc1c(C)cccc1	
FORMULA: C17H16N4
MASS: 276.3357
EXACT MASS: 276.1374965
INTERATOMIC DISTANCES

              N   1      C   2      C   3      N   4      C   5      N   6
              ------------------------------------------------------------------
   N   1    0.0000 
   C   2    0.6007     0.0000 
   C   3    0.5984     1.0405     0.0000 
   N   4    1.0364     1.5864     0.5975     0.0000 
   C   5    1.0364     0.5945     1.5835     2.0728     0.0000 
   N   6    1.0388     0.6008     1.2009     1.7984     1.0355     0.0000 
   C   7    1.5212     1.9873     0.9509     0.5988     2.5334     2.0396 
   C   8    1.0382     1.2022     0.6008     1.0373     1.7967     1.0405 
   C   9    1.5878     1.0371     2.0777     2.6128     0.6034     1.1968 
   C  10    2.0562     2.5611     1.5207     1.0371     3.0869     2.6378 
   C  11    1.1974     1.0408     1.0373     1.5828     1.5845     0.6022 
   C  12    2.0777     1.5834     2.6131     3.1141     1.0413     1.7952 
   N  13    2.6129     2.0736     3.1142     3.6443     1.5880     2.1581 
   C  14    1.1982     1.0355     1.7966     2.1584     0.6007     1.5852 
   C  15    1.8006     1.5846     2.3990     2.7476     1.0409     2.0764 
   C  16    1.6456     1.9579     1.0556     1.0384     2.5468     1.8290 
   C  17    2.2176     2.7849     1.7845     1.2004     3.2469     2.9746 
   C  18    2.5584     3.0111     1.9839     1.5854     3.5674     2.9922 
   C  19    2.1622     1.7952     2.7469     3.1712     1.2008     2.1588 
   C  20    2.2409     2.5179     1.6538     1.5844     3.1115     2.3119 
   C  21    2.6366     2.9949     2.0383     1.7986     3.5800     2.8568 

              C   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    1.0566     0.0000 
   C   9    3.0229     2.1622     0.0000 
   C  10    0.5984     1.6471     3.5982     0.0000 
   C  11    1.6536     0.5975     1.7991     2.2410     0.0000 
   C  12    3.5639     2.7469     0.5984     4.1251     2.3975     0.0000 
   N  13    4.0588     3.1713     1.0365     4.6347     2.7469     0.5975 
   C  14    2.6995     2.1611     1.0426     3.1953     2.0763     1.2035 
   C  15    3.2976     2.7490     1.2015     3.7825     2.6144     1.0413 
   C  16    0.6024     0.7923     2.9481     1.0415     1.3176     3.5269 
   C  17    1.0380     2.0684     3.8043     0.5983     2.6635     4.2847 
   C  18    1.0374     1.9556     4.0412     0.6010     2.5139     4.5929 
   C  19    3.6834     2.9974     1.0382     4.2064     2.7468     0.6008 
   C  20    1.0383     1.3198     3.4751     1.2003     1.7433     4.0640 
   C  21    1.1998     1.8299     3.9892     1.0401     2.3111     4.5677 

              N  13      C  14      C  15      C  16      C  17      C  18
              ------------------------------------------------------------------
   N  13    0.0000 
   C  14    1.8011     0.0000 
   C  15    1.5864     0.6024     0.0000 
   C  16    3.9625     2.8380     3.4387     0.0000 
   C  17    4.8301     3.2450     3.8007     1.5890     0.0000 
   C  18    5.0739     3.7308     4.3260     1.2005     1.0383     0.0000 
   C  19    1.0373     1.0413     0.6002     3.7421     4.2829     4.7206 
   C  20    4.4686     3.4287     4.0278     0.5987     1.7986     1.0380 
   C  21    5.0011     3.8346     4.4369     1.0412     1.5856     0.5980 

              C  19      C  20      C  21
              ---------------------------------
   C  19    0.0000 
   C  20    4.3113     0.0000 
   C  21    4.7695     0.6021     0.0000 



ATOMIC CHARGES
   N   1   -0.2100970837
   C   2    0.1637351443
   C   3    0.1549338207
   N   4   -0.1943660422
   C   5    0.0371816370
   N   6   -0.2249316237
   C   7    0.0681389753
   C   8    0.0568023481
   C   9    0.0211008501
   C  10   -0.0065492912
   C  11    0.1035142545
   C  12    0.0891906335
   N  13   -0.1280559811
   C  14    0.0031322721
   C  15    0.0014825437
   C  16    0.0162366298
   C  17    0.0323899261
   C  18   -0.0029730330
   C  19    0.0180583356
   C  20    0.0013139955
   C  21   -0.0002383113


BOND ANGLES
   2    1    3  Car  Nar  Car    120.407
   1    2    5  Nar  Car  Car    120.259
   1    2    6  Nar  Car  Nar    119.663
   5    2    6  Car  Car  Nar    120.078
   1    3    4  Nar  Car  Npl    120.149
   1    3    8  Nar  Car  Car    119.931
   4    3    8  Npl  Car  Car    119.920
   3    4    7  Car  Npl  Car    105.296
   2    5    9  Car  Car  Car    119.952
   2    5   14  Car  Car  Car    120.079
   9    5   14  Car  Car  Car    119.968
   2    6   11  Car  Nar  Car    119.798
   4    7   10  Npl  Car  Car    120.064
   4    7   16  Npl  Car  Car    119.635
  10    7   16  Car  Car  Car    120.301
   3    8   11  Car  Car  Car    119.914
   5    9   12  Car  Car  Car    120.099
   7   10   17  Car  Car   C3    120.327
   7   10   18  Car  Car  Car    119.738
  17   10   18   C3  Car  Car    119.935
   6   11    8  Nar  Car  Car    120.289
   9   12   13  Car  Car  Npl    120.156
   9   12   19  Car  Car  Car    119.931
  13   12   19  Npl  Car  Car    119.914
   5   14   15  Car  Car  Car    119.805
  14   15   19  Car  Car  Car    119.969
   7   16   20  Car  Car  Car    119.627
  10   18   21  Car  Car  Car    120.327
  12   19   15  Car  Car  Car    120.228
  16   20   21  Car  Car  Car    120.246
  18   21   20  Car  Car  Car    119.761


TORSION ANGLES
   5    2    1    3    179.974
   6    2    1    3      0.026
   4    3    1    2    179.974
   8    3    1    2      0.026
   7    4    3    1    179.974
   7    4    3    8      0.026
   9    5    2    1    179.974
   9    5    2    6      0.026
  14    5    2    1      0.026
  14    5    2    6    179.974
  11    6    2    1      0.026
  11    6    2    5    179.974
  10    7    4    3    179.974
  16    7    4    3      0.026
  11    8    3    1      0.026
  11    8    3    4    179.974
  12    9    5    2    179.974
  12    9    5   14      0.026
  17   10    7    4      0.026
  17   10    7   16    179.974
  18   10    7    4    179.974
  18   10    7   16      0.026
   8   11    6    2      0.026
  13   12    9    5    179.974
  19   12    9    5      0.026
  15   14    5    2    179.974
  15   14    5    9      0.026
  19   15   14    5      0.026
  20   16    7    4    179.974
  20   16    7   10      0.026
  21   18   10    7      0.026
  21   18   10   17    179.974
  12   19   15   14      0.026
  21   20   16    7      0.026
  20   21   18   10      0.026
   3    8   11    6      0.026
   9   12   19   15      0.026
  13   12   19   15    179.974
  18   21   20   16      0.026