IUPAC name
5-butyl-2-(dimethylamino)-6-methyl-4(1H)-pyrimidinone
SMILES
CCCCc1c(C)nc(nc1O)N(C)C
Compound class
Fungicide
Therapeutic area
Fungicide
Common name
dimethirimol
IUPAC name
5-butyl-2-(dimethylamino)-6-methyl-4(1H)-pyrimidinone
SMILES
CCCCc1c(C)nc(nc1O)N(C)C
INCHI
InChI=1S/C11H19N3O/c1-5-6-7-9-8(2)12-11(14(3)4)13-10(9)15/h5-7H2,1-4H3,(H,12,13,15)
FORMULA
C11H19N3O
Common name
dimethirimol
IUPAC name
5-butyl-2-(dimethylamino)-6-methyl-4(1H)-pyrimidinone
Molecular weight
209.288
clogP
1.903
clogS
-3.184
HBond Acceptor
4
HBond Donor
1
Total Polar Surface Area
49.25
Number of Rings
1
Rotatable Bond
4
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00007 | propane |
|
C(C)C | 0.2412 |
| FDBF00066 | N-methylmethanamine |
|
N(C)C | 0.0914 |
| FDBF00067 | butane |
|
CCCC | 0.0680 |
| FDBF04856 | 6-methyl-5H-pyrimidin-4-one |
|
C1(=O)N=CN=C(C1)C | 0.0024 |
| FDBF05430 | 2-(dimethylamino)-6-methyl-5H-pyrimidin-4-one |
|
N(C)(C)C1=NC(=O)CC(=N1)C | 0.0007 |
| FDBF06985 | (S)-5,6-dimethylpyrimidin-4(5H)-one |
|
C[C@@H]1C(=O)N=CN=C1C | 0.0003 |
| FDBF06987 | (S)-5-ethyl-6-methylpyrimidin-4(5H)-one |
|
C([C@@H]1C(=O)N=CN=C1C)C | 0.0003 |
| FDBF06988 | (S)-2-(dimethylamino)-5,6-dimethylpyrimidin-4(5H)-one |
|
C[C@@H]1C(=O)N=C(N=C1C)N(C)C | 0.0003 |
| FDBF06989 | (S)-2-(dimethylamino)-5-ethyl-6-methylpyrimidin-4(5H)-one |
|
C([C@@H]1C(=O)N=C(N=C1C)N(C)C)C | 0.0003 |
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