precursor

Showing entry for 2,5-dimethylpyrazine

Identification

PhytoHub ID
PHUB002349
Name
2,5-dimethylpyrazine
Systematic Name
Not Available
Synonyms
  • 2,5-Dimethyl-1,4-diazine
  • 2,5-Dimethyl-pyrazine
  • 2,5-Dimethylparadiazine
  • 2,5-Dimethylpiazine
  • 2,5-DMeP
  • 2,5-DMP
CAS Number
123-32-0
Average Mass
108.144
Monoisotopic Mass
108.068748266
Chemical Formula
C6H8N2
IUPAC Name
2,5-dimethylpyrazine
InChI Key
LCZUOKDVTBMCMX-UHFFFAOYSA-N
InChI Identifier
InChI=1S/C6H8N2/c1-5-3-8-6(2)4-7-5/h3-4H,1-2H3
SMILES
CC1=CN=C(C)C=N1
Structure
Similar Structures

Calculated Properties

Solubility (ALOGPS)
1.84e+02 g/l
LogS (ALOGPS)
0.23
LogP (ALOGPS)
0.62
Hydrogen Acceptors
2
Hydrogen Donors
0
Rotatable Bond Count
0
Polar Surface Area
25.78
Refractivity
30.9272
Polarizability
11.91272955330324
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
1.5864940624182495
pKa (strongest acidic)
Not Available
Number of Rings
1
Rule of Five
Yes
Bioavailability
Yes
Ghose Filter
No
Veber's Rule
Yes
MDDR-like Rule
No

Taxonomy as Food Phytochemical

Family
N-containing compounds
Class
Miscellaneous N-containing compounds
Sub-class
Not Available

Classyfire Taxonomy

Kingdom Name
Organic compounds
Class
Diazines
Super-class
Organoheterocyclic compounds
Sub-class
Pyrazines
Direct Parent Name
Pyrazines
Alternative Parent Names
["Azacyclic compounds", "Heteroaromatic compounds", "Hydrocarbon derivatives", "Organonitrogen compounds", "Organopnictogen compounds"]
External Descriptor Annotations
Not Available
Substituent Names
["Aromatic heteromonocyclic compound", "Azacycle", "Heteroaromatic compound", "Hydrocarbon derivative", "Organic nitrogen compound", "Organonitrogen compound", "Organopnictogen compound", "Pyrazine"]

Spectra from Phytohub

Food Sources

Role as Biomarker of intake

No roles as Biomarker of intake found

Metabolism

Inter-Individual Variations in Metabolism

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