Common name
5-chloro-4-methylpyrimidine
IUPAC name
5-chloro-4-methylpyrimidine
SMILES
c1ncnc(c1Cl)C
Common name
5-chloro-4-methylpyrimidine
IUPAC name
5-chloro-4-methylpyrimidine
SMILES
c1ncnc(c1Cl)C
INCHI
InChI=1S/C5H5ClN2/c1-4-5(6)2-7-3-8-4/h2-3H,1H3
FORMULA
C5H5ClN2
Common name
5-chloro-4-methylpyrimidine
IUPAC name
5-chloro-4-methylpyrimidine
Molecular weight
128.560
clogP
2.043
clogS
-2.314
Frequency
0.0003
HBond Acceptor
2
HBond Donor
0
Total PolarSurface Area
25.78
Number of Rings
1
Rotatable Bond
0
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD03197 | diflumetorim |
|
Fungicide | Fungicide |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4myq_ligand_frag_0.mol2 | 4myq | 0.823529 | -6.22 | c1nc(ccn1)C | 7 |
| 4wx4_ligand_1_0.mol2 | 4wx4 | 0.823529 | -5.89 | c1(ccncn1)C | 7 |
| 4pis_ligand_1_7.mol2 | 4pis | 0.823529 | -5.84 | Cc1ccncn1 | 7 |
| 4kio_ligand_1_2.mol2 | 4kio | 0.823529 | -5.72 | Cc1ncncc1 | 7 |
| 4rj7_ligand_frag_0.mol2 | 4rj7 | 0.823529 | -5.60 | c1cc(ncn1)C | 7 |
101 ,
11
