General Information of the Compound
Compound ID
CP0196754
Compound Name
2-Amino-6-(3,5-dichloro-phenylamino)-3H-pyrimidin-4-one
    Show/Hide
Structure
Formula
C10H8Cl2N4O
Molecular Weight
271.107
Canonical SMILES
Nc1nc(Nc2cc(Cl)cc(Cl)c2)cc(=O)[nH]1
    Show/Hide
InChI
InChI=1S/C10H8Cl2N4O/c11-5-1-6(12)3-7(2-5)14-8-4-9(17)16-10(13)15-8/h1-4H,(H4,13,14,15,16,17)
    Show/Hide
InChIKey
RRVGSKJQAFDHMO-UHFFFAOYSA-N
Physicochemical Property
logP
2.4025
Rotatable Bonds
2
Heavy Atom Count
17
Polar Areas
83.8
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
4
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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 135449094
SID: 15368399
ChEMBL ID
CHEMBL301283
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: PT04984, DNA primase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000044 CV-1 Chlorocebus aethiops (Green monkey)  1
1
IC50 = 770 nM
   TI
   LI
   LO
   TS