General Information of the Compound
| Compound ID |
CP0287539
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(azetidin-3-ylamino)-4-(3-methylanilino)pyrimidine-5-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C15H18N6O
|
||||||||||||||||||
| Molecular Weight |
298.35
|
||||||||||||||||||
| Canonical SMILES |
Cc1cccc(Nc2nc(NC3CNC3)ncc2C(N)=O)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C15H18N6O/c1-9-3-2-4-10(5-9)19-14-12(13(16)22)8-18-15(21-14)20-11-6-17-7-11/h2-5,8,11,17H,6-7H2,1H3,(H2,16,22)(H2,18,19,20,21)
Show/Hide
|
||||||||||||||||||
| InChIKey |
IKSLDGDULYIHMY-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