General Information of the Compound
| Compound ID |
CP0438663
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
butyl 2,4-dioxo-1H-pyrimidine-6-carboxylate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C9H12N2O4
|
||||||||||||||||||
| Molecular Weight |
212.205
|
||||||||||||||||||
| Canonical SMILES |
CCCCOC(=O)c1cc(O)nc(O)n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C9H12N2O4/c1-2-3-4-15-8(13)6-5-7(12)11-9(14)10-6/h5H,2-4H2,1H3,(H2,10,11,12,14)
Show/Hide
|
||||||||||||||||||
| InChIKey |
AKSYFXKHZGSZNB-UHFFFAOYSA-N
|
||||||||||||||||||
| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
|
|---|
Table of Molecular Bioactivities Related to the Compound