IUPAC name
1-methylethyl 4-[[[2-[(4,6-dimethoxy-2-pyrimidinyl)oxy]phenyl]methyl]amino]benzoate
SMILES
CC(C)OC(=O)c1ccc(cc1)NCc1ccccc1Oc1nc(cc(n1)OC)OC
Compound class
Herbicide
Therapeutic area
Herbicide
Common name
pyribambenz-isopropyl
IUPAC name
1-methylethyl 4-[[[2-[(4,6-dimethoxy-2-pyrimidinyl)oxy]phenyl]methyl]amino]benzoate
SMILES
CC(C)OC(=O)c1ccc(cc1)NCc1ccccc1Oc1nc(cc(n1)OC)OC
INCHI
InChI=1S/C23H25N3O5/c1-15(2)30-22(27)16-9-11-18(12-10-16)24-14-17-7-5-6-8-19(17)31-23-25-20(28-3)13-21(26-23)29-4/h5-13,15,24H,14H2,1-4H3
FORMULA
C23H25N3O5
Common name
pyribambenz-isopropyl
IUPAC name
1-methylethyl 4-[[[2-[(4,6-dimethoxy-2-pyrimidinyl)oxy]phenyl]methyl]amino]benzoate
Molecular weight
423.462
clogP
3.778
clogS
-6.190
HBond Acceptor
7
HBond Donor
1
Total Polar Surface Area
91.8
Number of Rings
3
Rotatable Bond
10
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00006 | phenol |
|
c1ccc(cc1)O | 0.0897 |
| FDBF00046 | aniline |
|
Nc1ccccc1 | 0.0247 |
| FDBF00790 | pyrimidine |
|
n1cnccc1 | 0.0161 |
| FDBF01254 | 4-methoxypyrimidine |
|
O(C)c1ccncn1 | 0.0086 |
| FDBF02921 | 5H-pyrimidin-2-one |
|
O=C1N=CCC=N1 | 0.0021 |
| FDBF05783 | 4-methoxy-5H-pyrimidin-2-one |
|
C1(=NC(=O)N=CC1)OC | 0.0017 |
| FDBF06472 | 2-phenoxypyrimidine |
|
O(c1ccccc1)c1ncccn1 | 0.0007 |
| FDBF06474 | 2-(2-methylphenoxy)pyrimidine |
|
O(c1c(cccc1)C)c1ncccn1 | 0.0007 |
| FDBF06475 | 2-(anilinomethyl)phenol |
|
Oc1c(cccc1)CNc1ccccc1 | 0.0007 |
18 ,
2
