Common name
(S)-5-ethyl-6-methylpyrimidin-4(5H)-one
IUPAC name
(S)-5-ethyl-6-methylpyrimidin-4(5H)-one
SMILES
C([C@@H]1C(=O)N=CN=C1C)C
Common name
(S)-5-ethyl-6-methylpyrimidin-4(5H)-one
IUPAC name
(S)-5-ethyl-6-methylpyrimidin-4(5H)-one
SMILES
C([C@@H]1C(=O)N=CN=C1C)C
INCHI
1S/C7H10N2O/c1-3-6-5(2)8-4-9-7(6)10/h4,6H,3H2,1-2H3/t6-/m0/s1
FORMULA
C7H10N2O
Common name
(S)-5-ethyl-6-methylpyrimidin-4(5H)-one
IUPAC name
(S)-5-ethyl-6-methylpyrimidin-4(5H)-one
Molecular weight
138.167
clogP
2.401
clogS
-1.645
Frequency
0.0003
HBond Acceptor
2
HBond Donor
0
Total PolarSurface Area
41.79
Number of Rings
1
Rotatable Bond
1
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD03198 | dimethirimol |
|
Fungicide | Fungicide |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4oex_ligand_1_1.mol2 | 4oex | 0.910256 | -6.36 | C(C)C1=NC=NC(=O)C1 | 9 |
| 4mxc_ligand_1_0.mol2 | 4mxc | 0.88 | -5.92 | O=C1CC=NC=N1 | 7 |
| 4oex_ligand_frag_2.mol2 | 4oex | 0.88 | -5.87 | C1C=NC=NC1=O | 7 |
| 1sqb_ligand_1_1.mol2 | 1sqb | 0.88 | -5.72 | C1C(=O)N=CN=C1 | 7 |
| 3m8q_ligand_1_0.mol2 | 3m8q | 0.88 | -5.66 | C1(=O)N=CN=CC1 | 7 |
| 4i12_ligand_frag_6.mol2 | 4i12 | 0.88 | -5.43 | C1=NC(=O)CC=N1 | 7 |
| 3mpe_ligand_frag_5.mol2 | 3mpe | 0.88 | -5.39 | N1=CN=CCC1=O | 7 |
| 4i12_ligand_1_2.mol2 | 4i12 | 0.804878 | -5.57 | CC1=NC(=O)CC=N1 | 8 |
105 ,
11
