Chem 46 Dimethoxy 2 Phenoxy Carbonyl Amino Pyrimidine Sajjan

Compound 43
  CheckMol                        TMF02:r0:m0
MF=C13H13N3O4 MW=275.26
 20 21  0  2  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0118    1.5113   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3224    2.2669   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2751    2.2669   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6329    1.5349   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2633    3.7782   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
    2.5621    1.5349   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9435    2.3023   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6447    0.0472   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5503    4.5456   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8490    2.2905   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.2540    1.5703   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9553   -0.6848   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5385    6.0569   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8372    3.8136   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.1359    1.5585   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2658    0.0826   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8254    6.8243   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1241    4.5810   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4229    2.3141   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6 02  0  1  0  0
  4  7 01  0  1  0  0
  5  8 02  0  1  0  0
  5  9 01  0  1  0  0
  6 10 01  0  1  0  0
  7 11 02  0  1  0  0
  8 12 01  0  1  0  0
  9 13 02  0  1  0  0
 10 14  1  0  0  0  0
 10 15 02  0  1  0  0
 11 16  1  0  0  0  0
 12 17 02  0  1  0  0
 14 18  1  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
 11 15 01  0  1  0  0
 13 17 01  0  1  0  0
M  END

4,6-Dimethoxy-2-(Phenoxy Carbonyl)-Amino Pyrimidin

₹ 0.00 0.00

Chemical Name - 4,6-Dimethoxy-2-(Phenoxy Carbonyl)-Amino Pyrimidine
Mol Weight - 275.263
Smiles - COc1nc(C(Oc2ccccc2)=O)nc(OC)c1N

Property Name	Property Value
Mol Name	4,6-Dimethoxy-2-(Phenoxy Carbonyl)-Amino Pyrimidine
Molweight	275.263
Monoisotopic Mass	275.090607
Clogp	1.3019
Clogs	-2.528
H Acceptors	7
H Donors	1
Total Surface Area	211.33
Relative Psa	0.37974
Polar Surface Area	96.56
Druglikeness	-1.2022
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.55
Molecular Flexibility	0.43095
Molecular Complexity	0.69203
Fragments	1
Non H Atoms	20
Non Ch Atoms	7
Electronegative Atoms	7
Rotatable Bonds	5
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3 Atoms	6
Symmetric Atoms	6
Amines	1
Aromatic Amines	1
Aromatic Nitrogens	2
Smiles	COc1nc(C(Oc2ccccc2)=O)nc(OC)c1N
InChIKey	InChI=1S/C13H13N3O4/c1-18-11-9(14)12(19-2)16-10(15-11)13(17)20-8-6-4-3-5-7-8/h3-7H,14H2,1-2H3
InChI	BSWJVWBYLHNQRH-UHFFFAOYSA-N

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1 - 4,6-Dimethoxy-2-(Phenoxy Carbonyl)-Amino Pyrimidine
2 - 4,6-Dimethoxy-2-(Phenoxy Carbonyl)-Amino Pyrimidine

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4,6-Dimethoxy-2-(Phenoxy Carbonyl)-Amino Pyrimidin