Common name
2-methoxypyrimidine
IUPAC name
2-methoxypyrimidine
SMILES
O(C)c1ncccn1
Common name
2-methoxypyrimidine
IUPAC name
2-methoxypyrimidine
SMILES
O(C)c1ncccn1
INCHI
InChI=1S/C5H6N2O/c1-8-5-6-3-2-4-7-5/h2-4H,1H3
FORMULA
C5H6N2O
Common name
2-methoxypyrimidine
IUPAC name
2-methoxypyrimidine
Molecular weight
110.114
clogP
0.941
clogS
-1.263
Frequency
0.0003
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 |
|---|---|---|---|---|
| FDBD01377 | Sulfadimethoxine |
|
Antiprotozoal Agents; Anti-Infective Agents; Antibacterials for Systemic Use; Antiinfectives for Systemic Use; Antiparasitic Products, Insecticides and Repellents; Agents Against Protozoal Diseases; Sulfonamides and Trimethoprim; Long-Acting Sulfonamides; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; | For use in the treatment of infections. |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 5cap_ligand_2_15.mol2 | 5cap | 1 | -5.82 | c1ccnc(n1)OC | 8 |
| 4qsm_ligand_1_5.mol2 | 4qsm | 1 | -5.22 | c1cnc(nc1)OC | 8 |
| 4qt0_ligand_1_4.mol2 | 4qt0 | 1 | -5.20 | O(C)c1ncccn1 | 8 |
| 5cap_ligand_3_31.mol2 | 5cap | 0.736842 | -6.45 | c1ccnc(n1)OCC(C)C | 11 |
| 2gu8_ligand_frag_1.mol2 | 2gu8 | 0.607143 | -5.97 | c1ccncn1 | 6 |
| 2e2b_ligand_frag_5.mol2 | 2e2b | 0.607143 | -5.96 | n1cnccc1 | 6 |
| 4ph4_ligand_frag_1.mol2 | 4ph4 | 0.607143 | -5.96 | c1ncncc1 | 6 |
| 2c5y_ligand_frag_3.mol2 | 2c5y | 0.607143 | -5.95 | c1ncncc1 | 6 |
274 ,
28
