Common name
4-methylpyrimidine
IUPAC name
4-methylpyrimidine
SMILES
n1cnccc1C
Common name
4-methylpyrimidine
IUPAC name
4-methylpyrimidine
SMILES
n1cnccc1C
INCHI
InChI=1S/C5H6N2/c1-5-2-3-6-4-7-5/h2-4H,1H3
FORMULA
C5H6N2
Common name
4-methylpyrimidine
IUPAC name
4-methylpyrimidine
Molecular weight
94.115
clogP
1.462
clogS
-1.495
Frequency
0.0038
HBond Acceptor
2
HBond Donor
0
Total Polar
Surface Area
25.78
Number of Rings
1
Rotatable Bond
0
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD01234 | Sulfamerazine |
|
Anti-Bacterial Agents; Sulfonamides; Antibacterials for Systemic Use; Antiinfectives for Systemic Use; Dermatologicals; Sulfonamides and Trimethoprim; Long-Acting Sulfonamides; | A sulfanilamide that is used as an antibacterial agent. It can be used to treat bronchitis, prostatitis and urinary tract infections. |
| FDBD01611 | Epirizole |
|
Anti-Inflammatory Agents, Non-Steroidal; | |
| FDBD02148 | diazinon |
|
Insecticide | Insecticide |
| FDBD02151 | pirimioxyphos |
|
Insecticide | Insecticide |
| FDBD02152 | pirimiphos-ethyl |
|
Insecticide | Insecticide |
| FDBD02153 | pirimiphos-methyl |
|
Insecticide | Insecticide |
| FDBD02154 | primidophos |
|
Insecticide | Insecticide |
| FDBD02155 | pyrimitate |
|
Insecticide | Insecticide |
| FDBD02209 | pirimetaphos |
|
Insecticide | Insecticide |
| FDBD03204 | cyprodinil |
|
Fungicide | Fungicide |
11 ,
2
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4myq_ligand_frag_0.mol2 | 4myq | 1 | -6.22 | c1nc(ccn1)C | 7 |
| 4wx4_ligand_1_0.mol2 | 4wx4 | 1 | -5.89 | c1(ccncn1)C | 7 |
| 4pis_ligand_1_7.mol2 | 4pis | 1 | -5.84 | Cc1ccncn1 | 7 |
| 4kio_ligand_1_2.mol2 | 4kio | 1 | -5.72 | Cc1ncncc1 | 7 |
| 4rj7_ligand_frag_0.mol2 | 4rj7 | 1 | -5.60 | c1cc(ncn1)C | 7 |
| 4kni_ligand_frag_5.mol2 | 4kni | 0.933333 | -5.87 | c1nc(cc(n1)C)C | 8 |
351 ,
36
