General Information of the Compound
Compound ID
CP0382705
Compound Name
5-[(2R,5S)-5-methylmorpholin-2-yl]pyridin-2-amine
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Structure
Formula
C10H15N3O
Molecular Weight
193.25
Canonical SMILES
C[C@H]1CO[C@@H](CN1)c1ccc(N)nc1
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InChI
InChI=1S/C10H15N3O/c1-7-6-14-9(5-12-7)8-2-3-10(11)13-4-8/h2-4,7,9,12H,5-6H2,1H3,(H2,11,13)/t7-,9-/m0/s1
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InChIKey
UXRVFSIWSWPXSI-CBAPKCEASA-N
Physicochemical Property
logP
0.7132
Rotatable Bonds
1
Heavy Atom Count
14
Polar Areas
60.17
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
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: 11672839
SID: 16776693
ChEMBL ID
CHEMBL4586223
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: PT01005, D(2) dopamine receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 7100 nM
   TI
   LI
   LO
   TS
Protein ID: PT00943, D(3) dopamine receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 1520 nM
   TI
   LI
   LO
   TS