General Information of the Compound
Compound ID
CP0941199
Compound Name
4,4-dimethyl-3,4-dihydroquinazolin-2-amine hydroiodide
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Structure
Formula
C10H14IN3
Molecular Weight
303.147
Canonical SMILES
CC1(C)NC(N)=Nc2ccccc21.I
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InChI
InChI=1S/C10H13N3.HI/c1-10(2)7-5-3-4-6-8(7)12-9(11)13-10;/h3-6H,1-2H3,(H3,11,12,13);1H
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InChIKey
IMJJOAHYQZWPBQ-UHFFFAOYSA-N
Physicochemical Property
logP
2.0891
Rotatable Bonds
0
Heavy Atom Count
14
Polar Areas
50.41
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
14

"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: 45263874
ChEMBL ID
CHEMBL558579
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 = 1172 nM
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