General Information of the Compound
Compound ID
CP0482363
Compound Name
4-(3-aminoazetidin-1-yl)-6-ethylpyrimidin-2-amine
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Structure
Formula
C9H15N5
Molecular Weight
193.254
Canonical SMILES
CCc1cc(nc(N)n1)N1CC(N)C1
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InChI
InChI=1S/C9H15N5/c1-2-7-3-8(13-9(11)12-7)14-4-6(10)5-14/h3,6H,2,4-5,10H2,1H3,(H2,11,12,13)
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InChIKey
LUNPTZFFNZLRHV-UHFFFAOYSA-N
Physicochemical Property
logP
-0.2315
Rotatable Bonds
2
Heavy Atom Count
14
Polar Areas
81.06
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
14

"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: 155527319
ChEMBL ID
CHEMBL4459723
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: PT01194, Histamine H3 receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000025 HEK-293T Homo sapiens (Human)  1
1
Ki = 79.43 nM
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