Common name
2-(ethylamino)-6-methylpyrimidin-4(1H)-one
IUPAC name
2-(ethylamino)-6-methylpyrimidin-4(1H)-one
SMILES
CCNC1=NC(=O)C=C(C)N1
Common name
2-(ethylamino)-6-methylpyrimidin-4(1H)-one
IUPAC name
2-(ethylamino)-6-methylpyrimidin-4(1H)-one
SMILES
CCNC1=NC(=O)C=C(C)N1
INCHI
1S/C7H11N3O/c1-3-8-7-9-5(2)4-6(11)10-7/h4H,3H2,1-2H3,(H2,8,9,10,11)
FORMULA
C7H11N3O
Common name
2-(ethylamino)-6-methylpyrimidin-4(1H)-one
IUPAC name
2-(ethylamino)-6-methylpyrimidin-4(1H)-one
Molecular weight
153.182
clogP
1.432
clogS
-2.623
Frequency
0.0007
HBond Acceptor
2
HBond Donor
2
Total PolarSurface Area
57.78
Number of Rings
1
Rotatable Bond
2
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD03196 | bupirimate |
|
Fungicide | Fungicide |
| FDBD03199 | ethirimol |
|
Fungicide | Fungicide |
2 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2v00_ligand_1_0.mol2 | 2v00 | 0.822581 | -6.36 | [nH]1c(nc(cc1=O)C)N | 9 |
| 4rj7_ligand_2_7.mol2 | 4rj7 | 0.725806 | -5.96 | N(CC)c1nc(ccn1)C | 10 |
| 2v00_ligand_2_0.mol2 | 2v00 | 0.69863 | -6.53 | [nH]1c(nc(cc1=O)CC)N | 10 |
| 4rj7_ligand_3_15.mol2 | 4rj7 | 0.652174 | -5.97 | N([C@H](CO)C)c1nc(ccn1)C | 12 |
| 3hvg_ligand.mol2 | 3hvg | 0.621951 | -6.96 | O=c1cc([nH]c([nH+]1)N)CCC | 12 |
110 ,
12
