General Information of the Compound
Compound ID
CP0510022
Compound Name
4-ethyl-1,4-dihydroquinazolin-2-amine
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Synonyms
4-ethyl-3,4-dihydroquinazolin-2-amine
CHEMBL270841
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Structure
Formula
C10H13N3
Molecular Weight
175.235
Canonical SMILES
CCC1NC(N)=Nc2ccccc12
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InChI
InChI=1S/C10H13N3/c1-2-8-7-5-3-4-6-9(7)13-10(11)12-8/h3-6,8H,2H2,1H3,(H3,11,12,13)
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InChIKey
FUFWGLRRMNVLPD-UHFFFAOYSA-N
Physicochemical Property
logP
1.6871
Rotatable Bonds
1
Heavy Atom Count
13
Polar Areas
50.41
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
13

"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: 44455986
ChEMBL ID
CHEMBL270841
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: PT01513, 5-hydroxytryptamine receptor 5A
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000065 HEK293-EBNA Homo sapiens (Human)  1
1
Ki = 24 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 4-ethyl-3,4-dihydroquinazolin-2-amine )
Drug Name 4-ethyl-3,4-dihydroquinazolin-2-amine
Target(s)
5-HT 5A receptor (HTR5A)
Inhibitor