Sign In Join Free

Products Information

4-chloro-N-methylpyrimidin-2-amine
4-chloro-N-methylpyrimidin-2-amine
ID: BP-11603
CAS:22404-46-2
Supplier:BroadPharm

Get a quote


SMILES:n1c(nccc1Cl)NC	
FORMULA: C5H6ClN3
MASS: 143.5742
EXACT MASS: 143.0250249
INTERATOMIC DISTANCES

              N   1      C   2      C   3      N   4      C   5      N   6
              ------------------------------------------------------------------
   N   1    0.0000 
   C   2    0.6000     0.0000 
   C   3    0.5975     1.0378     0.0000 
   N   4    1.0378     0.5975     1.2000     0.0000 
   C   5    1.0375     1.1985     0.6010     1.0398     0.0000 
   N   6    1.0398     0.6010     1.5863     1.0375     1.7995     0.0000 
   C   7    1.1985     1.0375     1.0398     0.6010     0.6000     1.5869 
  Cl   8    1.0378     1.5865     0.6000     1.8000     1.0398     2.0776 
   C   9    1.1985     1.0375     1.7960     1.5829     2.1600     0.5975 

              C   7     Cl   8      C   9
              ---------------------------------
   C   7    0.0000 
  Cl   8    1.5878     0.0000 
   C   9    2.0750     2.1600     0.0000 



ATOMIC CHARGES
   N   1   -0.2008193208
   C   2    0.2373652144
   C   3    0.1428120083
   N   4   -0.2108364015
   C   5    0.0515650752
   N   6   -0.2019567018
   C   7    0.1043274070
  Cl   8   -0.0611830130
   C   9    0.1387257323


BOND ANGLES
   2    1    3  Car  Nar  Car    120.140
   1    2    4  Nar  Car  Nar    120.140
   1    2    6  Nar  Car  Npl    119.944
   4    2    6  Nar  Car  Npl    119.917
   1    3    5  Nar  Car  Car    119.917
   1    3    8  Nar  Car   Cl    120.140
   5    3    8  Car  Car   Cl    119.944
   2    4    7  Car  Nar  Car    119.917
   3    5    7  Car  Car  Car    119.944
   2    6    9  Car  Npl   C3    119.917
   4    7    5  Nar  Car  Car    119.944


TORSION ANGLES
   4    2    1    3      0.026
   6    2    1    3    179.974
   5    3    1    2      0.026
   8    3    1    2    179.974
   7    4    2    1      0.026
   7    4    2    6    179.974
   7    5    3    1      0.026
   7    5    3    8    179.974
   9    6    2    1      0.026
   9    6    2    4    179.974
   4    7    5    3      0.026
   2    4    7    5      0.026