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Record Information
Version4.0
StatusExpected but not Quantified
Creation Date2012-09-11 17:32:23 UTC
Update Date2019-07-23 06:04:46 UTC
HMDB IDHMDB0029748
Secondary Accession Numbers
  • HMDB29748
Metabolite Identification
Common Name2-Aminodipyrido[1,2-a:3',2'-d]imidazole
Description2-Aminodipyrido[1,2-a:3',2'-d]imidazole, also known as glu-p-2 or imidazo[1,2-a:5,4-b']dipyridin-2-amine, 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. 2-Aminodipyrido[1,2-a:3',2'-d]imidazole is a strong basic compound (based on its pKa). 2-Aminodipyrido[1,2-a:3',2'-d]imidazole is a potentially toxic compound. Parent compound of a group of potent mutagens found in cooked food.
Structure
Data?1563861886
Synonyms
ValueSource
2-Amino-dipyrido(1,2-a:3',2'-D)-imidazoleHMDB
2-Amino-dipyrido(1,2-a:3',2'-D)imidazoleHMDB
2-Aminodipyrido(1,2-a:3',2'-D)imidazoleHMDB
2-Aminodipyridol(1,2-a:3',2'-D)imidazoleHMDB
Dipyrido(1,2-a:3',2'-D)imidazol-2-amineHMDB
Dipyrido[1,2-a:3',2'-D]imidazol-2-amineHMDB
Dipyrido[1,2-a:3',2'-D]imidazol-2-amine, 9ciHMDB
Glu-p-2HMDB
Imidazo[1,2-a:5,4-b']dipyridin-2-amineHMDB
Pyrido[3',2':4,5]imidazo[1,2-a]pyridin-2-amineHMDB
Glu-p-2, monohydrobromideHMDB
2-Aminodipyrido(1,2-a-3',2'-D)imidazoleHMDB
Glu p-2HMDB
2-AminodipyridoimidazoleHMDB
2-Aminodipyrido[1,2-a:3',2'-D]imidazoleKEGG
Chemical FormulaC10H8N4
Average Molecular Weight184.1973
Monoisotopic Molecular Weight184.074896276
IUPAC Name1,3,8-triazatricyclo[7.4.0.0²,⁷]trideca-2(7),3,5,8,10,12-hexaen-4-amine
Traditional Name1,3,8-triazatricyclo[7.4.0.0²,⁷]trideca-2(7),3,5,8,10,12-hexaen-4-amine
CAS Registry Number67730-10-3
SMILES
NC1=NC2=C(C=C1)N=C1C=CC=CN21
InChI Identifier
InChI=1S/C10H8N4/c11-8-5-4-7-10(13-8)14-6-2-1-3-9(14)12-7/h1-6H,(H2,11,13)
InChI KeyBUXVIXBGMQXWGT-UHFFFAOYSA-N
Chemical Taxonomy
Description 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.
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassImidazopyridines
Sub ClassNot Available
Direct ParentImidazopyridines
Alternative Parents
Substituents
  • Imidazopyridine
  • Imidazo[1,2-a]pyridine
  • Aminopyridine
  • N-substituted imidazole
  • Pyridine
  • Imidolactam
  • Azole
  • Imidazole
  • Heteroaromatic compound
  • Azacycle
  • Organonitrogen compound
  • Hydrocarbon derivative
  • Organopnictogen compound
  • Organic nitrogen compound
  • Amine
  • Primary amine
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External Descriptors
Ontology
Disposition

Source:

Biological location:

Physical Properties
StateNot Available
Experimental Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogP1.38Not Available
Predicted Properties
PropertyValueSource
Water Solubility1.41 g/LALOGPS
logP1.53ALOGPS
logP1.08ChemAxon
logS-2.1ALOGPS
pKa (Strongest Basic)3.5ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area56.21 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity54.7 m³·mol⁻¹ChemAxon
Polarizability19.24 ųChemAxon
Number of Rings3ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Spectra
Spectrum TypeDescriptionSplash KeyView
GC-MSGC-MS Spectrum - EI-B (Non-derivatized)splash10-0059-9600000000-bb30f5b16a7ca9fbca00Spectrum
GC-MSGC-MS Spectrum - EI-B (Non-derivatized)splash10-0059-9600000000-bb30f5b16a7ca9fbca00Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positivesplash10-053r-1900000000-b18251b60a89b93e82d7Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-000i-0900000000-c4907fc928a46bff4a62Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-000i-0900000000-d0d25839c992c1f50175Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-0pvu-2900000000-ea9da0e23c68fca8e73aSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-001i-0900000000-f823fb7f0b9063aba78aSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-001i-0900000000-0406f803a83d865c01f7Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-0a59-1900000000-716759de6d60d04be019Spectrum
Biological Properties
Cellular Locations
  • Cytoplasm
  • Extracellular
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FoodDB IDFDB000949
KNApSAcK IDNot Available
Chemspider ID45326
KEGG Compound IDC19245
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound49970
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .