General Information of the Compound
Compound ID
CP0510462
Compound Name
4-[(3R)-3-aminopyrrolidin-1-yl]-6-ethylpyrimidin-2-amine
    Show/Hide
Structure
Formula
C10H17N5
Molecular Weight
207.281
Canonical SMILES
CCc1cc(nc(N)n1)N1CC[C@@H](N)C1
    Show/Hide
InChI
InChI=1S/C10H17N5/c1-2-8-5-9(14-10(12)13-8)15-4-3-7(11)6-15/h5,7H,2-4,6,11H2,1H3,(H2,12,13,14)/t7-/m1/s1
    Show/Hide
InChIKey
AZBCGUPNGHWKDL-SSDOTTSWSA-N
Physicochemical Property
logP
0.1586
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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 53258370
SID: 124399750
ChEMBL ID
CHEMBL3236569
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: PT01711, Histamine H4 receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000074 SK-N-MC Homo sapiens (Human)  2
1
Kd = 12.59 nM
   TI
   LI
   LO
   TS
2
Ki = 21 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 EC50 > 10000 nM