General Information of the Compound
| Compound ID |
CP0138830
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
6-(3-methylbutyl)-4-N-(2-methylpropyl)-2-N-(naphthalen-1-ylmethyl)pyrimidine-2,4-diamine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H32N4
|
||||||||||||||||||
| Molecular Weight |
376.548
|
||||||||||||||||||
| Canonical SMILES |
CC(C)CCc1cc(NCC(C)C)nc(NCc2cccc3ccccc23)n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H32N4/c1-17(2)12-13-21-14-23(25-15-18(3)4)28-24(27-21)26-16-20-10-7-9-19-8-5-6-11-22(19)20/h5-11,14,17-18H,12-13,15-16H2,1-4H3,(H2,25,26,27,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
VRWKGVWAPRTECK-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