Metabolite 6-O-methylguanine

Name
6-O-methylguanine
Description
Not Available
Structure
3D
Similar Structures
Synonyms
Not Available
UNII
9B710FV2AE
CAS number
Not Available
Weight
Average: 165.156
Monoisotopic: 165.065059865
Chemical Formula
C6H7N5O
InChI Key
BXJHWYVXLGLDMZ-UHFFFAOYSA-N
InChI
InChI=1S/C6H7N5O/c1-12-5-3-4(9-2-8-3)10-6(7)11-5/h2H,1H3,(H3,7,8,9,10,11)
IUPAC Name
6-methoxy-9H-purin-2-amine
SMILES
COC1=NC(N)=NC2=C1N=CN2
Reactions
Spectra
Not Available
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available
Human Metabolome Database
HMDB0245002
ChemSpider
58766
BindingDB
5470
ChEBI
20689
ChEMBL
CHEMBL226395
ZINC
ZINC000004770610
PDBe Ligand
6GO
Wikipedia
6-O-Methylguanine
Predicted Properties
PropertyValueSource
logP-0.0099Chemaxon
pKa (Strongest Acidic)8.99Chemaxon
pKa (Strongest Basic)4.8Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count5Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area89.71 Å2Chemaxon
Rotatable Bond Count1Chemaxon
Refractivity43.01 m3·mol-1Chemaxon
Polarizability15.49 Å3Chemaxon
Number of Rings2Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon