IUPAC name
5-chloro-N-[1-[4-(difluoromethoxy)phenyl]propyl]-6-methyl-4-pyrimidinamine
SMILES
CCC(c1ccc(cc1)OC(F)F)Nc1c(c(C)ncn1)Cl
Compound class
Fungicide
Therapeutic area
Fungicide
Common name
diflumetorim
IUPAC name
5-chloro-N-[1-[4-(difluoromethoxy)phenyl]propyl]-6-methyl-4-pyrimidinamine
SMILES
CCC(c1ccc(cc1)OC(F)F)Nc1c(c(C)ncn1)Cl
INCHI
InChI=1S/C15H16ClF2N3O/c1-3-12(21-14-13(16)9(2)19-8-20-14)10-4-6-11(7-5-10)22-15(17)18/h4-8,12,15H,3H2,1-2H3,(H,19,20,21)
FORMULA
C15H16ClF2N3O
Common name
diflumetorim
IUPAC name
5-chloro-N-[1-[4-(difluoromethoxy)phenyl]propyl]-6-methyl-4-pyrimidinamine
Molecular weight
327.757
clogP
4.114
clogS
-5.630
HBond Acceptor
3
HBond Donor
1
Total Polar Surface Area
47.04
Number of Rings
2
Rotatable Bond
6
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00005 | benzene |
|
c1ccccc1 | 0.2824 |
| FDBF00023 | toluene |
|
c1(ccccc1)C | 0.1268 |
| FDBF00088 | p-cresol |
|
Cc1ccc(cc1)O | 0.0134 |
| FDBF00913 | phenylmethanamine |
|
NCc1ccccc1 | 0.0086 |
| FDBF03130 | difluoromethoxybenzene |
|
c1c(cccc1)OC(F)F | 0.0017 |
| FDBF06971 | 5-chloro-N,6-dimethylpyrimidin-4-amine |
|
N(c1ncnc(c1Cl)C)C | 0.0003 |
| FDBF06975 | (S)-1-phenylpropan-1-amine |
|
N[C@H](c1ccccc1)CC | 0.0003 |
| FDBF06979 | 5-chloro-6-methyl-N-propylpyrimidin-4-amine |
|
N(c1ncnc(c1Cl)C)CCC | 0.0003 |
22 ,
3
