General Information of the Compound
Compound ID
CP0574018
Compound Name
4-(3-aminoazetidin-1-yl)-6-propan-2-ylpyrimidin-2-amine
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Structure
Formula
C10H17N5
Molecular Weight
207.281
Canonical SMILES
CC(C)c1cc(nc(N)n1)N1CC(N)C1
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InChI
InChI=1S/C10H17N5/c1-6(2)8-3-9(14-10(12)13-8)15-4-7(11)5-15/h3,6-7H,4-5,11H2,1-2H3,(H2,12,13,14)
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InChIKey
AKMCDNOSDOZEAA-UHFFFAOYSA-N
Physicochemical Property
logP
0.3295
Rotatable Bonds
2
Heavy Atom Count
15
Polar Areas
81.06
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: 59777245
ChEMBL ID
CHEMBL4452204
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 = 199.53 nM
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