IUPAC name
5-butyl-2-(ethylamino)-6-methyl-4(1H)-pyrimidinone
SMILES
CCCCc1c(C)[nH]c(=NCC)nc1O
Compound class
Fungicide
Therapeutic area
Fungicide
Common name
ethirimol
IUPAC name
5-butyl-2-(ethylamino)-6-methyl-4(1H)-pyrimidinone
SMILES
CCCCc1c(C)[nH]c(=NCC)nc1O
INCHI
InChI=1S/C11H19N3O/c1-4-6-7-9-8(3)13-11(12-5-2)14-10(9)15/h4-7H2,1-3H3,(H2,12,13,14,15)
FORMULA
C11H19N3O
Common name
ethirimol
IUPAC name
5-butyl-2-(ethylamino)-6-methyl-4(1H)-pyrimidinone
Molecular weight
209.288
clogP
3.450
clogS
-3.917
HBond Acceptor
3
HBond Donor
2
Total Polar Surface Area
61.27
Number of Rings
1
Rotatable Bond
4
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00007 | propane |
|
C(C)C | 0.2412 |
| FDBF00067 | butane |
|
CCCC | 0.0680 |
| FDBF06822 | 2-(ethylamino)-6-methylpyrimidin-4(1H)-one |
|
CCNC1=NC(=O)C=C(C)N1 | 0.0007 |
| FDBF06827 | 2-(ethylamino)-5,6-dimethylpyrimidin-4(1H)-one |
|
CCNC1=NC(=O)C(C)=C(C)N1 | 0.0007 |
| FDBF06828 | 5-ethyl-2-(ethylamino)-6-methylpyrimidin-4(1H)-one |
|
CCNC1=NC(=O)C(CC)=C(C)N1 | 0.0007 |
5 ,
1
