General Information of the Compound
Compound ID
CP0042293
Compound Name
5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine
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Synonyms
2,4-Diamino-5-(4-chlorophenyl)-6-ethylpyrimidine
2,4-Diamino-5-(p-chlorophenyl)-6-ethylpyrimidine
2,4-Diamino-5-chlorophenyl-6-ethylpyrimidine
5-(4'-Chlorophenyl)-2,4-diamino-6-ethylpyrimidine
5-(4-CHLORO-PHENYL)-6-ETHYL-PYRIMIDINE-2,4-DIAMINE
5-(4-CHLOROPHENYL)-6-ETHYL-2,4-PYRIMIDINEDIAMINE
5-(4-Chlorophenyl)-6-ethyl-2,4-diaminopyrimidine
5-(4-Chlorophenyl)-6-ethyl-2,4-pyrimidi nediamine
5-(4-chlorophenyl)-2,4-diamino-6-ethylpyrimidine
5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine
5-(p-chlorophenyl)-6-ethyl-2,4-diaminopyrimidine
5-[4-Chlorophenyl]-6-ethyl-2,4-pyrimidinediamine
AZT + Pyrimethamine combination
Aventis Brand of Pyrimethamine
BW 50-63
BW 5063
CRL-8131 & Pyrimethamine
CRL-8142 & Pyrimethamine
Chloridin
Chloridine
Chloridyn
Darachlor
Daraclor
Darapram
Daraprim
Daraprim (TN)
Daraprime
Daraprin
Diaminopyritamin
EXR-101
Erbaprelina
Ethylpyrimidine
Fansidar (Pyrimethamine/Sulfadoxine)
Glaxo Wellcome Brand of Pyrimethamine
GlaxoSmithKline Brand of Pyrimethamine
Khloridin
Lactoferrin B & Pyrimethamine
Lactoferrin H & Pyrimethamine
M alocid
Malacid
Malocid
Malocide
Maloprim
Pirimecidan
Pirimetamin
Pirimetamina
Pirimetamina [INN-Spanish]
Pirimetamina [Spanish]
Primethamine
Pyremethamine
Pyrimethamin
Pyrimethamine
Pyrimethamine (JAN/USP/INN)
Pyrimethamine (Pyr)
Pyrimethamine Hcl
Pyrimethamine [USAN:INN:BAN:JAN]
Pyrimethaminum
Pyrimethaminum [INN-Latin]
RP 4753
TCMDC-123831
TCMDC-125860
Tindurin
Tindurine
Tinduring
WR 2978
Wellcome Brand of Pyrimethamine
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Structure
Formula
C12H13ClN4
Molecular Weight
248.717
Canonical SMILES
CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1
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InChI
InChI=1S/C12H13ClN4/c1-2-9-10(11(14)17-12(15)16-9)7-3-5-8(13)6-4-7/h3-6H,2H2,1H3,(H4,14,15,16,17)
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InChIKey
WKSAUQYGYAYLPV-UHFFFAOYSA-N
CAS
58-14-0
Physicochemical Property
logP
2.5238
Rotatable Bonds
2
Heavy Atom Count
17
Polar Areas
77.82
Hydrogen Bond Donor Count
2
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: 4993
SID: 15221150
ChEMBL ID
CHEMBL36
DrugBank ID
DB00205
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: PT03795, Solute carrier family 22 member 1
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 13570 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Protein ID: PT06391, Trace amine-associated receptor 5
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293
 Cell Line Info 
Homo sapiens (Human)  1
1
EC50 > 10000 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Pyrimethamine )
Drug Name Pyrimethamine
Indication
Malaria
Approved
Target(s)
Folate receptor alpha (FOLR1)
 Target Info 
Modulator