General Information of the Compound
| Compound ID |
CP0539307
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(4-(2,6-Dimethoxyphenyl)pyrimidin-2-yl)-N,Ndimethylethanamine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H21N3O2
|
||||||||||||||||||
| Molecular Weight |
287.363
|
||||||||||||||||||
| Canonical SMILES |
COc1cccc(OC)c1-c1ccnc(CCN(C)C)n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H21N3O2/c1-19(2)11-9-15-17-10-8-12(18-15)16-13(20-3)6-5-7-14(16)21-4/h5-8,10H,9,11H2,1-4H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZOGZUNFJVUUUTM-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