General Information of the Compound
Compound ID
CP0534338
Compound Name
4-[3-(ethylamino)azetidin-1-yl]-6-methylpyrimidin-2-amine
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Structure
Formula
C10H17N5
Molecular Weight
207.281
Canonical SMILES
CCNC1CN(C1)c1cc(C)nc(N)n1
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InChI
InChI=1S/C10H17N5/c1-3-12-8-5-15(6-8)9-4-7(2)13-10(11)14-9/h4,8,12H,3,5-6H2,1-2H3,(H2,11,13,14)
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InChIKey
HEEQXUYKJHWCAH-UHFFFAOYSA-N
Physicochemical Property
logP
0.16532
Rotatable Bonds
3
Heavy Atom Count
15
Polar Areas
67.07
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
15

"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: 155533940
ChEMBL ID
CHEMBL4469111
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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