General Information of the Compound
| Compound ID |
CP0173066
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2,4-diamino-5,6-disubstituted pyrimidine, 11
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H23N5
|
||||||||||||||||||
| Molecular Weight |
309.417
|
||||||||||||||||||
| Canonical SMILES |
CN[C@@H]1CCN(C1)c1nc(N)nc-2c1CCCc1ccccc-21
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H23N5/c1-20-13-9-10-23(11-13)17-15-8-4-6-12-5-2-3-7-14(12)16(15)21-18(19)22-17/h2-3,5,7,13,20H,4,6,8-11H2,1H3,(H2,19,21,22)/t13-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZNRXWEGEMFPRJE-CYBMUJFWSA-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
Protein ID: PT04730, Histamine H4 receptor
Protein ID: PT02519, Histamine H4 receptor