General Information of the Compound
Compound ID
CP0273920
Compound Name
2-Amino-6-(3,4-dichloro-phenylamino)-3H-pyrimidin-4-one
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Structure
Formula
C10H8Cl2N4O
Molecular Weight
271.107
Canonical SMILES
Nc1nc(Nc2ccc(Cl)c(Cl)c2)cc(=O)[nH]1
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InChI
InChI=1S/C10H8Cl2N4O/c11-6-2-1-5(3-7(6)12)14-8-4-9(17)16-10(13)15-8/h1-4H,(H4,13,14,15,16,17)
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InChIKey
SQFJVHBOGMKABU-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).

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PubChem ID
CID: 135400927
SID: 15021438
ChEMBL ID
CHEMBL54127
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 = 850 nM
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