General Information of the Compound
Compound ID
CP0574015
Compound Name
4-ethyl-6-[3-(methylamino)azetidin-1-yl]pyrimidin-2-amine
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Structure
Formula
C10H17N5
Molecular Weight
207.281
Canonical SMILES
CCc1cc(nc(N)n1)N1CC(C1)NC
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InChI
InChI=1S/C10H17N5/c1-3-7-4-9(14-10(11)13-7)15-5-8(6-15)12-2/h4,8,12H,3,5-6H2,1-2H3,(H2,11,13,14)
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InChIKey
JEPXRRCJOTWKKQ-UHFFFAOYSA-N
Physicochemical Property
logP
0.0292
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: 42623567
SID: 81055756
ChEMBL ID
CHEMBL4535363
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 = 50.12 nM
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