Common name
6-methyl-5H-pyrimidin-4-one
IUPAC name
6-methyl-5H-pyrimidin-4-one
SMILES
C1(=O)N=CN=C(C1)C
Common name
6-methyl-5H-pyrimidin-4-one
IUPAC name
6-methyl-5H-pyrimidin-4-one
SMILES
C1(=O)N=CN=C(C1)C
INCHI
InChI=1S/C5H6N2O/c1-4-2-5(8)7-3-6-4/h3H,2H2,1H3
FORMULA
C5H6N2O
Common name
6-methyl-5H-pyrimidin-4-one
IUPAC name
6-methyl-5H-pyrimidin-4-one
Molecular weight
110.114
clogP
2.152
clogS
-1.050
Frequency
0.0024
HBond Acceptor
2
HBond Donor
0
Total PolarSurface Area
41.79
Number of Rings
1
Rotatable Bond
0
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| 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 |
| FDBD03198 | dimethirimol |
|
Fungicide | Fungicide |
7 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4oex_ligand_1_1.mol2 | 4oex | 0.945946 | -6.36 | C(C)C1=NC=NC(=O)C1 | 9 |
| 4mxc_ligand_1_0.mol2 | 4mxc | 0.942857 | -5.92 | O=C1CC=NC=N1 | 7 |
| 4oex_ligand_frag_2.mol2 | 4oex | 0.942857 | -5.87 | C1C=NC=NC1=O | 7 |
| 1sqb_ligand_1_1.mol2 | 1sqb | 0.942857 | -5.72 | C1C(=O)N=CN=C1 | 7 |
| 3m8q_ligand_1_0.mol2 | 3m8q | 0.942857 | -5.66 | C1(=O)N=CN=CC1 | 7 |
| 4i12_ligand_frag_6.mol2 | 4i12 | 0.942857 | -5.43 | C1=NC(=O)CC=N1 | 7 |
| 3mpe_ligand_frag_5.mol2 | 3mpe | 0.942857 | -5.39 | N1=CN=CCC1=O | 7 |
| 4i12_ligand_1_2.mol2 | 4i12 | 0.857143 | -5.57 | CC1=NC(=O)CC=N1 | 8 |
106 ,
11
