General Information of the Compound
Compound ID
CP0452650
Compound Name
4,6-dichloro-2-cyclopropyl-5-methylpyrimidine
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Structure
Formula
C8H8Cl2N2
Molecular Weight
203.072
Canonical SMILES
Cc1c(Cl)nc(nc1Cl)C1CC1
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InChI
InChI=1S/C8H8Cl2N2/c1-4-6(9)11-8(5-2-3-5)12-7(4)10/h5H,2-3H2,1H3
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InChIKey
AEKXEKPMZIZYLD-UHFFFAOYSA-N
Physicochemical Property
logP
2.96922
Rotatable Bonds
1
Heavy Atom Count
12
Polar Areas
25.78
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Complexity
12

"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: 54595731
ChEMBL ID
CHEMBL3622905
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 = 8700 nM
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