Common name
5-methoxypyrimidine
IUPAC name
5-methoxypyrimidine
SMILES
n1cc(cnc1)OC
Common name
5-methoxypyrimidine
IUPAC name
5-methoxypyrimidine
SMILES
n1cc(cnc1)OC
INCHI
InChI=1S/C5H6N2O/c1-8-5-2-6-4-7-3-5/h2-4H,1H3
FORMULA
C5H6N2O
Common name
5-methoxypyrimidine
IUPAC name
5-methoxypyrimidine
Molecular weight
110.114
clogP
0.941
clogS
-1.263
Frequency
0.0007
HBond Acceptor
3
HBond Donor
0
Total PolarSurface Area
35.01
Number of Rings
1
Rotatable Bond
1
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD01124 | Sulfadoxine |
|
Sulfadoxine is used in combination with pyrimethamine for the treatment or prevention of malaria. It can also be used to treat various infections in livestock as well. | |
| FDBD01169 | Glycodiazine |
|
Drugs Used in Diabetes; Alimentary Tract and Metabolism; Blood Glucose Lowering Drugs, Excl. Insulins; Sulfonamides (Heterocyclic); | Glycodiazine is used concomitantly with insulin for the treatment of noninsulin-dependent (type 2) diabetes mellitus. |
2 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4jpa_ligand_2_13.mol2 | 4jpa | 1 | -6.02 | c1ncc(cn1)OC | 8 |
| 4hgl_ligand_1_1.mol2 | 4hgl | 1 | -5.80 | c1ncc(cn1)OC | 8 |
| 4r1v_ligand_2_11.mol2 | 4r1v | 1 | -5.76 | n1cc(cnc1)OC | 8 |
| 4yur_ligand_1_1.mol2 | 4yur | 1 | -5.44 | c1(cncnc1)OC | 8 |
| 4jpa_ligand_1_3.mol2 | 4jpa | 0.821429 | -5.95 | c1ncc(cn1)O | 7 |
| 4r1v_ligand_1_2.mol2 | 4r1v | 0.821429 | -5.75 | n1cc(cnc1)O | 7 |
| 4gee_ligand_1_3.mol2 | 4gee | 0.821429 | -5.50 | Oc1cncnc1 | 7 |
| 2gu8_ligand_frag_1.mol2 | 2gu8 | 0.607143 | -5.97 | c1ccncn1 | 6 |
279 ,
28
