General Information of the Compound
Compound ID
CP0854445
Compound Name
3,4-dihydroquinazolin-2-amine hydrobromide
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Synonyms
1,4-dihydro-quinazolin-2-ylamine monohydrobromide
3,4-dihydroquinazolin-2-amine hydrobromide
CHEMBL557381
RXCXYMVUYRKQAO-UHFFFAOYSA-N
SCHEMBL2386507
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Structure
Formula
C8H10BrN3
Molecular Weight
228.093
Canonical SMILES
Br.NC1=Nc2ccccc2CN1
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InChI
InChI=1S/C8H9N3.BrH/c9-8-10-5-6-3-1-2-4-7(6)11-8;/h1-4H,5H2,(H3,9,10,11);1H
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InChIKey
RXCXYMVUYRKQAO-UHFFFAOYSA-N
Physicochemical Property
logP
1.3139
Rotatable Bonds
0
Heavy Atom Count
12
Polar Areas
50.41
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
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: 45263885
ChEMBL ID
CHEMBL557381
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 = 658 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 3,4-dihydroquinazolin-2-amine hydrobromide )
Drug Name 3,4-dihydroquinazolin-2-amine hydrobromide
Target(s)
5-HT 5A receptor (HTR5A)
Inhibitor