General Information of the Compound
Compound ID
CP0409505
Compound Name
4,6-diphenylpyrimidin-2-amine
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Synonyms
(4,6-diphenyl-pyrimidin-2-yl)-amine
2-Amino-4,6-diphenyl-pyrimidine
2-Amino-4,6-diphenylpyrimidine
2-Pyrimidinamine, 4,6-diphenyl-
4,6-Diphenyl-2-pyrimidinamine
4,6-Diphenyl-2-pyrimidinamine #
4,6-Diphenylpyrimidine-2-amine
4,6-diphenyl-2- Pyrimidinamine
4,6-diphenylpyrimidin-2-amine
40230-24-8
AC1LDIBD
AC1Q52JN
AK136264
AKOS010263933
BDBM50375490
CBDivE_006411
CHEMBL261185
CTK1D4711
Cambridge id 5109412
DTXSID20347207
HMS1577A06
HMS2833A20
KS-00001N3D
KZUCBEYDRUCBCS-UHFFFAOYSA-N
MLS001162904
MolPort-001-847-654
SCHEMBL4904514
ZINC295268
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Structure
Formula
C16H13N3
Molecular Weight
247.301
Canonical SMILES
Nc1nc(cc(n1)-c1ccccc1)-c1ccccc1
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InChI
InChI=1S/C16H13N3/c17-16-18-14(12-7-3-1-4-8-12)11-15(19-16)13-9-5-2-6-10-13/h1-11H,(H2,17,18,19)
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InChIKey
KZUCBEYDRUCBCS-UHFFFAOYSA-N
Physicochemical Property
logP
3.3928
Rotatable Bonds
2
Heavy Atom Count
19
Polar Areas
51.8
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
19

"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).

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PubChem ID
CID: 619024
SID: 16558869
ChEMBL ID
CHEMBL261185
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 Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  1
1
Ki = 17.7 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Protein ID: PT00862, Adenosine receptor A2a
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293
 Cell Line Info 
Homo sapiens (Human)  1
1
Ki = 405 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 2-Amino-4,6-diphenyl-pyrimidine )
Drug Name 2-Amino-4,6-diphenyl-pyrimidine
Target(s)
Adenosine A1 receptor (ADORA1)
 Target Info 
Inhibitor
Adenosine A2a receptor (ADORA2A)
 Target Info 
Inhibitor