General Information of the Compound
Compound ID
CP0316741
Compound Name
4-methyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
    Show/Hide
Structure
Formula
C10H17N5
Molecular Weight
207.281
Canonical SMILES
CN[C@@H]1CCN(C1)c1cc(C)nc(N)n1
    Show/Hide
InChI
InChI=1S/C10H17N5/c1-7-5-9(14-10(11)13-7)15-4-3-8(6-15)12-2/h5,8,12H,3-4,6H2,1-2H3,(H2,11,13,14)/t8-/m1/s1
    Show/Hide
InChIKey
UXYSHWULOBYLDA-MRVPVSSYSA-N
Physicochemical Property
logP
0.16532
Rotatable Bonds
2
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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 24994945
SID: 56336972
ChEMBL ID
CHEMBL3236567
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)  1
1
Ki = 77 nM
   TI
   LI
   LO
   TS