Showing Compound 2-Amino-1,6-dimethylfuro[3,2-e]imidazo[4,5-b]pyridine (FDB013815)

Record Information

Version

1.0

Creation date

2010-04-08 22:10:55 UTC

Update date

2019-11-26 03:09:06 UTC

Primary ID

FDB013815

Secondary Accession Numbers

Not Available

Chemical Information

FooDB Name

2-Amino-1,6-dimethylfuro[3,2-e]imidazo[4,5-b]pyridine

Description

2-Amino-1,6-dimethylfuro[3,2-e]imidazo[4,5-b]pyridine 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. Based on a literature review a significant number of articles have been published on 2-Amino-1,6-dimethylfuro[3,2-e]imidazo[4,5-b]pyridine.

CAS Number

132898-08-9

Structure

MOL SDF 3D-SDF PDB SMILES InChI View 3D Structure

Synonyms

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Synonym	Source
1,6-Dimethyl-1H-furo[2,3-b]imidazo[4,5-e]pyridin-2-amine, 9ci	HMDB
1,6-Dimethyl-1H-furo[2,3-b]imidazo[4,5-e]pyridin-2-amine, 9CI	db_source
2-Amino-(1,6-dimethylfuro(3,2-e)imidazo(4,5-b))pyridine	MeSH
2-Amino-dfip	MeSH

Showing 1 to 4 of 4 entries

Predicted Properties

Property	Value	Source
Water Solubility	0.24 g/L	ALOGPS
logP	1.1	ALOGPS
logP	1.19	ChemAxon
logS	-2.9	ALOGPS
pKa (Strongest Basic)	5	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	3	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	69.87 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	57.07 m³·mol⁻¹	ChemAxon
Polarizability	21.69 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Chemical Formula

C10H10N4O

IUPAC name

6,11-dimethyl-10-oxa-2,4,6-triazatricyclo[7.3.0.0³,⁷]dodeca-1,3(7),4,8,11-pentaen-5-amine

InChI Identifier

InChI=1S/C10H10N4O/c1-5-3-6-8(15-5)4-7-9(12-6)13-10(11)14(7)2/h3-4H,1-2H3,(H2,11,12,13)

InChI Key

MUFPYNUSILUNGN-UHFFFAOYSA-N

Isomeric SMILES

CN1C(N)=NC2=C1C=C1OC(C)=CC1=N2

Average Molecular Weight

202.2126

Monoisotopic Molecular Weight

202.085460962

Classification

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.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Imidazopyridines

Sub Class

Not Available

Direct Parent

Imidazopyridines

Alternative Parents

Substituents

Furopyridine
Imidazopyridine
Aminoimidazole
Pyridine
N-substituted imidazole
Azole
Furan
Imidazole
Heteroaromatic compound
Oxacycle
Azacycle
Amine
Organonitrogen compound
Organooxygen compound
Primary amine
Hydrocarbon derivative
Organopnictogen compound
Organic oxygen compound
Organic nitrogen compound
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Not Available

Ontology

Disposition

Route of exposure:

Enteral:

Ingestion

Source:

Food

Biological location:

Subcellular:

Cytoplasm

Cell and elements:

Extracellular

Role

Biological role:

Nutrient

Physico-Chemical Properties

Physico-Chemical Properties - Experimental

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Property	Value	Reference
Boiling Point	Not Available
Charge	Not Available
Density	Not Available
Experimental logP	Not Available
Experimental pKa	Not Available
Experimental Water Solubility	Not Available
Isoelectric point	Not Available
Mass Composition	Not Available
Melting Point	Not Available
Optical Rotation	Not Available

Showing 1 to 10 of 14 entries

Spectra

EI-MS/GC-MS

Type	Description	Splash Key	View
Predicted GC-MS	2-Amino-1,6-dimethylfuro[3,2-e]imidazo[4,5-b]pyridine, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive	splash10-0w2a-0920000000-1130384343b4dea7a3f1	Spectrum
Predicted GC-MS	2-Amino-1,6-dimethylfuro[3,2-e]imidazo[4,5-b]pyridine, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive	Not Available	Spectrum

MS/MS

Type	Description	Splash Key	View
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-0udi-0090000000-ca41536b94b6eb75559f	2016-06-03	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-0udi-0090000000-7bc4a0bc50899d912fda	2016-06-03	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-01qi-1900000000-af26e31708b5419c8c92	2016-06-03	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-0udi-0090000000-6778da7c2f335253c69e	2016-08-03	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-0udi-0290000000-806320ddc8ce06835bbf	2016-08-03	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-000i-4900000000-0365a85116e4b5df06b9	2016-08-03	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-0udi-0090000000-73a2df502e09c0542e48	2021-09-25	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-0udi-0090000000-f9446ff851dcbadbb12b	2021-09-25	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-0fki-0920000000-ff89fb2aad4f7a9c5e61	2021-09-25	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-0udi-0090000000-e7482f51c32ab39ecfb3	2021-09-25	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-0udi-0290000000-790f10d7d9baea18b6f4	2021-09-25	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-00dj-0910000000-33fb6404ab36bb195e34	2021-09-25	View Spectrum

NMR

Not Available

External Links

ChemSpider ID

29787112

ChEMBL ID

Not Available

KEGG Compound ID

Not Available

Pubchem Compound ID

71313206

Pubchem Substance ID

Not Available

ChEBI ID

Not Available

Phenol-Explorer ID

Not Available

DrugBank ID

Not Available

HMDB ID

HMDB35175

CRC / DFC (Dictionary of Food Compounds) ID

JHO84-J:JHO84-J

EAFUS ID

Not Available

Dr. Duke ID

Not Available

BIGG ID

Not Available

KNApSAcK ID

Not Available

HET ID

Not Available

Food Biomarker Ontology

Not Available

VMH ID

Not Available

Flavornet ID

Not Available

GoodScent ID

Not Available

SuperScent ID

Not Available

Wikipedia ID

Not Available

Phenol-Explorer Metabolite ID

Not Available

Duplicate IDS

Not Available

Old DFC IDS

Not Available

Associated Foods

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Food	Content Range	Average	Reference

Processing...

Biological Effects and Interactions

Health Effects / Bioactivities

Not Available

Enzymes

Not Available

Pathways

Not Available

Metabolism

Not Available

Biosynthesis

Not Available

Organoleptic Properties

Flavours

Not Available

Files

MSDS

Not Available

References

Synthesis Reference

Not Available

General Reference

Not Available

Content Reference

Showing Compound 2-Amino-1,6-dimethylfuro[3,2-e]imidazo[4,5-b]pyridine (FDB013815)

Structure for FDB013815 (2-Amino-1,6-dimethylfuro[3,2-e]imidazo[4,5-b]pyridine)