Chem 46 Dimethoxy 2 Methylsulfonyl Pyrimidine Sajjan

Compound 36
  CheckMol                        TMF02:r0:m0
MF=C7H10N2O4S MW=218.23
 14 14  0  1  0               999 V2000
    0.0000   -0.0000   -0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7481    1.3182   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7719   -1.2944   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2944   -0.7481   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3182    0.7719   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5888    0.0119   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
    1.2825   -2.2444   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
    3.8832   -0.7363   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5769   -2.9807   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.1776    0.0238   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8714   -2.2326   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5651   -4.4770   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4721   -0.7125   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8595   -5.2251   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  4  6 02  0  1  0  0
  4  7 01  0  1  0  0
  6  8 01  0  1  0  0
  7  9 02  0  1  0  0
  8 10  1  0  0  0  0
  8 11 02  0  1  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
 12 14  1  0  0  0  0
  9 11 01  0  1  0  0
M  END

4,6-Dimethoxy-2-(methylsulfonyl)-Pyrimidine

₹ 0.00 0.00

Chemical Name - 4,6-Dimethoxy-2-(methylsulfonyl)-Pyrimidine
Mol Weight - 218.232
Smiles - COc1nc(S(C)(=O)=O)nc(OC)c1

Property Name	Property Value
Mol Name	4,6-Dimethoxy-2-(methylsulfonyl)-Pyrimidine
Molweight	218.232
Monoisotopic Mass	218.036128
Clogp	-0.0967
Clogs	-1.884
H Acceptors	6
Total Surface Area	156.14
Relative Psa	0.45165
Polar Surface Area	86.76
Druglikeness	-0.69753
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.5
Molecular Flexibility	0.51159
Molecular Complexity	0.62778
Fragments	1
Non H Atoms	14
Non Ch Atoms	7
Electronegative Atoms	7
Rotatable Bonds	3
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Sp3 Atoms	6
Symmetric Atoms	5
Aromatic Nitrogens	2
Smiles	COc1nc(S(C)(=O)=O)nc(OC)c1
InChIKey	InChI=1S/C7H10N2O4S/c1-12-5-4-6(13-2)9-7(8-5)14(3,10)11/h4H,1-3H3
InChI	ITDVJJVNAASTRS-UHFFFAOYSA-N

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4,6-Dimethoxy-2-(methylsulfonyl)-Pyrimidine