Common name
2-(2-methylphenoxy)pyrimidine
IUPAC name
2-(2-methylphenoxy)pyrimidine
SMILES
O(c1c(cccc1)C)c1ncccn1
Common name
2-(2-methylphenoxy)pyrimidine
IUPAC name
2-(2-methylphenoxy)pyrimidine
SMILES
O(c1c(cccc1)C)c1ncccn1
INCHI
InChI=1S/C11H10N2O/c1-9-5-2-3-6-10(9)14-11-12-7-4-8-13-11/h2-8H,1H3
FORMULA
C11H10N2O
Common name
2-(2-methylphenoxy)pyrimidine
IUPAC name
2-(2-methylphenoxy)pyrimidine
Molecular weight
186.210
clogP
2.473
clogS
-3.239
Frequency
0.0007
HBond Acceptor
3
HBond Donor
0
Total PolarSurface Area
35.01
Number of Rings
2
Rotatable Bond
2
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD02690 | pyribambenz-isopropyl |
|
Herbicide | Herbicide |
| FDBD02691 | pyribambenz-propyl |
|
Herbicide | Herbicide |
2 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4o7b_ligand_2_0.mol2 | 4o7b | 0.919355 | -6.59 | Cc1c(c(ccc1)Oc1ncccn1)C | 15 |
| 5d10_ligand_2_15.mol2 | 5d10 | 0.824561 | -6.24 | c1ccnc(n1)Oc1ccccc1 | 13 |
| 5d11_ligand_2_15.mol2 | 5d11 | 0.824561 | -6.12 | c1ccnc(n1)Oc1ccccc1 | 13 |
| 4o7f_ligand_2_5.mol2 | 4o7f | 0.824561 | -6.03 | c1ccccc1Oc1ncccn1 | 13 |
| 1sqb_ligand_2_9.mol2 | 1sqb | 0.569444 | -7.44 | c1cncnc1Oc1ccccc1 | 13 |
| 2wap_ligand_2_7.mol2 | 2wap | 0.536232 | -7.57 | c1cccc(c1)Oc1ccccn1 | 13 |
| 4muw_ligand_2_9.mol2 | 4muw | 0.536232 | -7.39 | c1(ccccc1)Oc1ccccn1 | 13 |
| 4phw_ligand_2_3.mol2 | 4phw | 0.536232 | -7.38 | c1(ncccc1)Oc1ccccc1 | 13 |
| 4xnv_ligand_2_18.mol2 | 4xnv | 0.536232 | -7.01 | c1cccnc1Oc1ccccc1 | 13 |
| 4g16_ligand_2_6.mol2 | 4g16 | 0.536232 | -6.90 | c1ccc(nc1)Oc1ccccc1 | 13 |
113 ,
12
