IUPAC name
propyl 4-[[[2-[(4,6-dimethoxy-2-pyrimidinyl)oxy]phenyl]methyl]amino]benzoate
SMILES
CCCOC(=O)c1ccc(cc1)NCc1ccccc1Oc1nc(cc(n1)OC)OC
Compound class
Herbicide
Therapeutic area
Herbicide
Common name
pyribambenz-propyl
IUPAC name
propyl 4-[[[2-[(4,6-dimethoxy-2-pyrimidinyl)oxy]phenyl]methyl]amino]benzoate
SMILES
CCCOC(=O)c1ccc(cc1)NCc1ccccc1Oc1nc(cc(n1)OC)OC
INCHI
InChI=1S/C23H25N3O5/c1-4-13-30-22(27)16-9-11-18(12-10-16)24-15-17-7-5-6-8-19(17)31-23-25-20(28-2)14-21(26-23)29-3/h5-12,14,24H,4,13,15H2,1-3H3
FORMULA
C23H25N3O5
Common name
pyribambenz-propyl
IUPAC name
propyl 4-[[[2-[(4,6-dimethoxy-2-pyrimidinyl)oxy]phenyl]methyl]amino]benzoate
Molecular weight
423.462
clogP
3.949
clogS
-6.564
HBond Acceptor
7
HBond Donor
1
Total Polar Surface Area
91.8
Number of Rings
3
Rotatable Bond
11
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00006 | phenol |
|
c1ccc(cc1)O | 0.0897 |
| FDBF00105 | methyl formate |
|
O(C=O)C | 0.0323 |
| FDBF00790 | pyrimidine |
|
n1cnccc1 | 0.0161 |
| FDBF01477 | propyl formate |
|
O(C=O)CCC | 0.0021 |
| FDBF01682 | methyl 4-aminobenzoate |
|
Nc1ccc(cc1)C(=O)OC | 0.0021 |
| 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 |
20 ,
3
