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5-methylpyrimidin-4-ol
5-methylpyrimidin-4-ol
ID: BP-11669
CAS:17758-52-0
Supplier:BroadPharm

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SMILES:c1(ncncc1C)O	
FORMULA: C5H6N2O
MASS: 110.1139
EXACT MASS: 110.0480128
INTERATOMIC DISTANCES

              C   1      N   2      C   3      N   4      C   5      O   6
              ------------------------------------------------------------------
   C   1    0.0000 
   N   2    0.6010     0.0000 
   C   3    0.6011     1.0417     0.0000 
   N   4    1.2000     1.0398     1.0399     0.0000 
   C   5    1.0398     0.6000     1.2021     0.6010     0.0000 
   O   6    0.6000     1.0398     1.0399     1.8000     1.5878     0.0000 
   C   7    1.0399     1.2021     0.6000     0.6011     1.0417     1.5879 
   C   8    1.0375     1.5869     0.5974     1.5863     1.7995     1.1985 

              C   7      C   8
              ----------------------
   C   7    0.0000 
   C   8    1.0377     0.0000 



ATOMIC CHARGES
   C   1    0.2781213813
   N   2   -0.1857800271
   C   3    0.0551205501
   N   4   -0.2225719518
   C   5    0.2016675405
   O   6   -0.2654423915
   C   7    0.1011490774
   C   8    0.0377358210


BOND ANGLES
   2    1    3  Nar  Car  Car    120.118
   2    1    6  Nar  Car   O3    119.944
   3    1    6  Car  Car   O3    119.939
   1    2    5  Car  Nar  Car    119.944
   1    3    7  Car  Car  Car    119.939
   1    3    8  Car  Car   C3    119.917
   7    3    8  Car  Car   C3    120.145
   5    4    7  Car  Nar  Car    120.118
   2    5    4  Nar  Car  Nar    119.944
   3    7    4  Car  Car  Nar    119.939


TORSION ANGLES
   5    2    1    3      0.026
   5    2    1    6    179.974
   7    3    1    2      0.026
   7    3    1    6    179.974
   8    3    1    2    179.974
   8    3    1    6      0.026
   5    4    7    3      0.026
   4    5    2    1      0.026
   4    7    3    1      0.026
   4    7    3    8    179.974
   2    5    4    7      0.026