Common name
4-methoxy-5H-pyrimidin-2-one
IUPAC name
4-methoxy-5H-pyrimidin-2-one
SMILES
C1(=NC(=O)N=CC1)OC
Common name
4-methoxy-5H-pyrimidin-2-one
IUPAC name
4-methoxy-5H-pyrimidin-2-one
SMILES
C1(=NC(=O)N=CC1)OC
INCHI
InChI=1S/C5H6N2O2/c1-9-4-2-3-6-5(8)7-4/h3H,2H2,1H3
FORMULA
C5H6N2O2
Common name
4-methoxy-5H-pyrimidin-2-one
IUPAC name
4-methoxy-5H-pyrimidin-2-one
Molecular weight
126.113
clogP
1.672
clogS
-0.811
Frequency
0.0017
HBond Acceptor
2
HBond Donor
0
Total PolarSurface Area
51.02
Number of Rings
1
Rotatable Bond
1
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD02446 | bispyribac |
|
Herbicide | Herbicide |
| FDBD02447 | pyriminobac |
|
Herbicide | Herbicide |
| FDBD02690 | pyribambenz-isopropyl |
|
Herbicide | Herbicide |
| FDBD02691 | pyribambenz-propyl |
|
Herbicide | Herbicide |
| FDBD02883 | pyribenzoxim |
|
Herbicide | Herbicide |
5 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3dcv_ligand_frag_0.mol2 | 3dcv | 0.646154 | -5.80 | O=C1N=CCC=N1 | 7 |
| 1yw2_ligand_1_5.mol2 | 1yw2 | 0.646154 | -5.76 | O=C1N=CCC=N1 | 7 |
| 5cap_ligand_1_3.mol2 | 5cap | 0.646154 | -5.75 | C1=NC(=O)N=CC1 | 7 |
| 5d11_ligand_1_3.mol2 | 5d11 | 0.646154 | -5.53 | C1=NC(=O)N=CC1 | 7 |
| 4o7b_ligand_1_1.mol2 | 4o7b | 0.646154 | -5.51 | O=C1N=CCC=N1 | 7 |
| 4o7f_ligand_1_2.mol2 | 4o7f | 0.646154 | -5.48 | O=C1N=CCC=N1 | 7 |
| 5d10_ligand_1_3.mol2 | 5d10 | 0.646154 | -5.48 | C1=NC(=O)N=CC1 | 7 |
123 ,
13
