General Information of the Compound
Compound ID
CP0494679
Compound Name
6-N-cyclohexyl-4-N,2-dicyclopropyl-5-methylpyrimidine-4,6-diamine
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Structure
Formula
C17H26N4
Molecular Weight
286.423
Canonical SMILES
Cc1c(NC2CC2)nc(nc1NC1CCCCC1)C1CC1
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InChI
InChI=1S/C17H26N4/c1-11-15(18-13-5-3-2-4-6-13)20-17(12-7-8-12)21-16(11)19-14-9-10-14/h12-14H,2-10H2,1H3,(H2,18,19,20,21)
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InChIKey
FJFYFTMGULTVHT-UHFFFAOYSA-N
Physicochemical Property
logP
3.98132
Rotatable Bonds
5
Heavy Atom Count
21
Polar Areas
49.84
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
21

"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: 44409760
ChEMBL ID
CHEMBL377728
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: PT01266, Muscarinic acetylcholine receptor M3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 316 nM
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