IUPAC name
5-butyl-2-(ethylamino)-6-methyl-4-pyrimidinyl dimethylsulfamate
SMILES
CCCCc1c(C)nc(NCC)nc1OS(=O)(=O)N(C)C
Compound class
Fungicide
Therapeutic area
Fungicide
Common name
bupirimate
IUPAC name
5-butyl-2-(ethylamino)-6-methyl-4-pyrimidinyl dimethylsulfamate
SMILES
CCCCc1c(C)nc(NCC)nc1OS(=O)(=O)N(C)C
INCHI
InChI=1S/C13H24N4O3S/c1-6-8-9-11-10(3)15-13(14-7-2)16-12(11)20-21(18,19)17(4)5/h6-9H2,1-5H3,(H,14,15,16)
FORMULA
C13H24N4O3S
Common name
bupirimate
IUPAC name
5-butyl-2-(ethylamino)-6-methyl-4-pyrimidinyl dimethylsulfamate
Molecular weight
316.420
clogP
2.105
clogS
-4.243
HBond Acceptor
5
HBond Donor
1
Total Polar Surface Area
87.65
Number of Rings
1
Rotatable Bond
7
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00066 | N-methylmethanamine |
|
N(C)C | 0.0914 |
| FDBF00283 | BLAH |
|
S(=O)O | 0.0244 |
| FDBF06819 | 4,5-dimethylpyrimidin-2-amine |
|
c1(cnc([n]c1C)N)C | 0.0003 |
| FDBF06820 | N-ethyl-4-methylpyrimidin-2-amine |
|
C(C)Nc1nccc([n]1)C | 0.0003 |
| FDBF06823 | N-ethyl-5,6-dimethylpyrimidin-1-ium-2-amine |
|
CN(C)S([O-])(=O)=O | 0.0003 |
| FDBF06829 | 4-methylpyrimidin-2-amine |
|
c1cnc([n]c1C)N | 0.0003 |
16 ,
2
