General Information of the Compound
| Compound ID |
CP0439106
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-N-[(3-methylphenyl)methyl]-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H24N6
|
||||||||||||||||||
| Molecular Weight |
312.421
|
||||||||||||||||||
| Canonical SMILES |
CN1CCN(CC1)c1cc(NCc2cccc(C)c2)nc(N)n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H24N6/c1-13-4-3-5-14(10-13)12-19-15-11-16(21-17(18)20-15)23-8-6-22(2)7-9-23/h3-5,10-11H,6-9,12H2,1-2H3,(H3,18,19,20,21)
Show/Hide
|
||||||||||||||||||
| InChIKey |
WKSSLPPMNOSQSW-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