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 |
|---|---|---|---|---|
| FDBF00006 | phenol |
|
c1ccc(cc1)O | 0.0897 |
| FDBF00007 | propane |
|
C(C)C | 0.2412 |
| FDBF00025 | propan-1-amine |
|
CCCN | 0.0292 |
| FDBF00193 | propylbenzene |
|
C(c1ccccc1)CC | 0.0186 |
| FDBF00370 | difluoromethane |
|
FCF | 0.0151 |
| FDBF02505 | 4-propylphenol |
|
C(C)Cc1ccc(cc1)O | 0.0014 |
| FDBF06970 | 5-chloro-6-methylpyrimidin-4-amine |
|
Nc1ncnc(c1Cl)C | 0.0003 |
| FDBF06977 | 1-(difluoromethoxy)-4-methylbenzene |
|
C(F)(F)Oc1ccc(C)cc1 | 0.0003 |
| FDBF06982 | 4-(((5-chloro-6-methylpyrimidin-4-yl)amino)methyl)phenol |
|
N(c1ncnc(c1Cl)C)Cc1ccc(cc1)O | 0.0003 |
| FDBF06983 | 5-chloro-4-methylpyrimidine |
|
c1ncnc(c1Cl)C | 0.0003 |
22 ,
3
