General Information of the Compound
Compound ID
CP0528892
Compound Name
4-chloro-2-cyclopropyl-5-methyl-6-pyrrolidin-1-ylpyrimidine
    Show/Hide
Structure
Formula
C12H16ClN3
Molecular Weight
237.734
Canonical SMILES
Cc1c(Cl)nc(nc1N1CCCC1)C1CC1
    Show/Hide
InChI
InChI=1S/C12H16ClN3/c1-8-10(13)14-11(9-4-5-9)15-12(8)16-6-2-3-7-16/h9H,2-7H2,1H3
    Show/Hide
InChIKey
WUHRMMZRCUTFEJ-UHFFFAOYSA-N
Physicochemical Property
logP
2.91602
Rotatable Bonds
2
Heavy Atom Count
16
Polar Areas
29.02
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
16

"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: 80971319
ChEMBL ID
CHEMBL3621542
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: PT01875, cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000192 AD-293 Homo sapiens (Human)  1
1
Ki = 5300 nM
   TI
   LI
   LO
   TS