General Information of the Compound
| Compound ID |
CP0412861
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-amino-4,6-diphenylpyrimidine-5-carbonitrile
Show/Hide
|
||||||||||||||||||
| Synonyms |
2-Amino-4,6-diphenyl-pyrimidin-5-carbonitrile
2-amino-4,6-diphenylpyrimidine-5-carbonitrile
BDBM50375505
CHEMBL259736
JMXZSEAMWCKILY-UHFFFAOYSA-N
SCHEMBL6440910
ZINC29063803
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H12N4
|
||||||||||||||||||
| Molecular Weight |
272.311
|
||||||||||||||||||
| Canonical SMILES |
Nc1nc(-c2ccccc2)c(C#N)c(n1)-c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H12N4/c18-11-14-15(12-7-3-1-4-8-12)20-17(19)21-16(14)13-9-5-2-6-10-13/h1-10H,(H2,19,20,21)
Show/Hide
|
||||||||||||||||||
| InChIKey |
JMXZSEAMWCKILY-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
Protein ID: PT00840, Adenosine receptor A1
Protein ID: PT00862, Adenosine receptor A2a
Clinical Information about the Compound