Common name
4-ethoxypyrimidine
IUPAC name
4-ethoxypyrimidine
SMILES
n1ccc(nc1)OCC
Common name
4-ethoxypyrimidine
IUPAC name
4-ethoxypyrimidine
SMILES
n1ccc(nc1)OCC
INCHI
InChI=1S/C6H8N2O/c1-2-9-6-3-4-7-5-8-6/h3-5H,2H2,1H3
FORMULA
C6H8N2O
Common name
4-ethoxypyrimidine
IUPAC name
4-ethoxypyrimidine
Molecular weight
124.141
clogP
1.185
clogS
-1.686
Frequency
0.0010
HBond Acceptor
3
HBond Donor
0
Total PolarSurface Area
35.01
Number of Rings
1
Rotatable Bond
2
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD01582 | MACITENTAN |
|
Antihypertensive Agents; Vasodilator Agents; Cardiovascular System; Antihypertensives for Pulmonary Arterial Hypertension; Cytochrome P-450 CYP2C19 Inducers; CYP3A4 Inhibitors; Endothelin A Receptor Antagonists; Endothelin B Receptor Antagonists; | Macitentan is indicated for patients with pulmonary arterial hypertension. |
| FDBD02149 | etrimfos |
|
Insecticide | Insecticide |
| FDBD02150 | lirimfos |
|
Insecticide | Insecticide |
3 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3b2w_ligand_1_2.mol2 | 3b2w | 0.860465 | -5.77 | O(C)c1ccncn1 | 8 |
| 4ptg_ligand_1_0.mol2 | 4ptg | 0.860465 | -5.61 | c1(ccncn1)OC | 8 |
| 4nat_ligand_1_0.mol2 | 4nat | 0.860465 | -5.59 | c1(ccncn1)OC | 8 |
| 4nat_ligand_1_5.mol2 | 4nat | 0.860465 | -5.40 | c1cc(ncn1)OC | 8 |
| 4qsm_ligand_1_4.mol2 | 4qsm | 0.860465 | -5.33 | O(C)c1ccncn1 | 8 |
| 4qt0_ligand_1_5.mol2 | 4qt0 | 0.860465 | -5.29 | c1cncnc1OC | 8 |
| 1sqb_ligand_2_9.mol2 | 1sqb | 0.622951 | -7.44 | c1cncnc1Oc1ccccc1 | 13 |
| 2wi1_ligand.mol2 | 2wi1 | 0.558442 | -6.32 | Nc1nc(cc(C)n1)OCCOC | 14 |
101 ,
11
