1-Amino-6-Cyclohex-3-Enylmethyloxypurine

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as imidazopyridines. These are organic polycyclic compounds containing an imidazole ring fused to a pyridine ring. Imidazole is 5-membered ring consisting of three carbon atoms, and two nitrogen centers at the 1- and 3-positions. Pyridine is a 6-membered ring consisting of five carbon atoms and one nitrogen center.

Imidazopyridines

Organic compounds

Organoheterocyclic compounds

Imidazopyridines

Calculated Property

kind Value Source
logP 2.55 ALOGPS
logS -2.9 ALOGPS
Water Solubility 2.88e-01 g/l ALOGPS
logP 2.36 ChemAxon
IUPAC Name 4-(cyclohexylmethoxy)-1H-imidazo[4,5-c]pyridin-6-amine ChemAxon
Traditional IUPAC Name 4-(cyclohexylmethoxy)-1H-imidazo[4,5-c]pyridin-6-amine ChemAxon
Molecular Weight 246.3082 ChemAxon
Monoisotopic Weight 246.148061218 ChemAxon
SMILES NC1=NC(OCC2CCCCC2)=C2N=CNC2=C1 ChemAxon
Molecular Formula C13H18N4O ChemAxon
InChI InChI=1S/C13H18N4O/c14-11-6-10-12(16-8-15-10)13(17-11)18-7-9-4-2-1-3-5-9/h6,8-9H,1-5,7H2,(H2,14,17)(H,15,16) ChemAxon
InChIKey InChIKey=VPUIDVRYMVIXGO-UHFFFAOYSA-N ChemAxon
Polar Surface Area (PSA) 76.82 ChemAxon
Refractivity 70.35 ChemAxon
Polarizability 27.29 ChemAxon
Rotatable Bond Count 3 ChemAxon
H Bond Acceptor Count 4 ChemAxon
H Bond Donor Count 2 ChemAxon
pKa (strongest acidic) 9.23 ChemAxon
pKa (strongest basic) 5.45 ChemAxon
Physiological Charge 0 ChemAxon
Number of Rings 3 ChemAxon
Bioavailability 1 ChemAxon
Rule of Five 1 ChemAxon
Ghose Filter 1 ChemAxon
MDDR-Like Rule 0 ChemAxon

Target within organism

  • Cyclin-dependent kinase 2 : in Human