General Information of the Compound
Compound ID
CP0510576
Compound Name
2-(2-furyl)-6-(1H-pyrazol-1-yl)pyrimidin-4-amine
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Synonyms
2-(2-furyl)-6-(1H-pyrazol-1-yl)pyrimidin-4-amine
2-(2-furyl)-6-(1H-pyrazol-1-yl)pyrimidin-4-ylamine
856171-18-1
BDBM50232155
CHEMBL399529
SCHEMBL1489577
SSPIGFDAVQVRCH-UHFFFAOYSA-N
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Structure
Formula
C11H9N5O
Molecular Weight
227.227
Canonical SMILES
Nc1cc(nc(n1)-c1ccco1)-n1cccn1
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InChI
InChI=1S/C11H9N5O/c12-9-7-10(16-5-2-4-13-16)15-11(14-9)8-3-1-6-17-8/h1-7H,(H2,12,14,15)
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InChIKey
SSPIGFDAVQVRCH-UHFFFAOYSA-N
Physicochemical Property
logP
1.5045
Rotatable Bonds
2
Heavy Atom Count
17
Polar Areas
82.76
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
17

"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: 11424684
SID: 16521703
ChEMBL ID
CHEMBL399529
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
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 56 nM
   TI
   LI
   LO
   TS
Protein ID: PT00862, Adenosine receptor A2a
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 2.9 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 2-(2-furyl)-6-(1H-pyrazol-1-yl)pyrimidin-4-amine )
Drug Name 2-(2-furyl)-6-(1H-pyrazol-1-yl)pyrimidin-4-amine
Target(s)
Adenosine A2a receptor (ADORA2A)
Inhibitor
Adenosine A1 receptor (ADORA1)
Inhibitor