General Information of the Compound
Compound ID
CP0244889
Compound Name
4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine
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Structure
Formula
C12H19N5
Molecular Weight
233.319
Canonical SMILES
CN[C@@H]1CCN(C1)c1nc(N)nc2CCCc12
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InChI
InChI=1S/C12H19N5/c1-14-8-5-6-17(7-8)11-9-3-2-4-10(9)15-12(13)16-11/h8,14H,2-7H2,1H3,(H2,13,15,16)/t8-/m1/s1
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InChIKey
HPHJKTSBAPAIAW-MRVPVSSYSA-N
Physicochemical Property
logP
0.3456
Rotatable Bonds
2
Heavy Atom Count
17
Polar Areas
67.07
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
17

"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: 59777309
ChEMBL ID
CHEMBL3236581
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 = 159 nM
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