Summary

IMPPAT Phytochemical identifier: IMPHY006953

Phytochemical name: 2,6-Dimethylpyrazine

Synonymous chemical names:
2,6-dimethyl-pyrazine, 2,6-dimethylpyrazine, pyrazine,2,6-dimethyl

External chemical identifiers:
CID:7938, ChEBI:89791, ZINC:ZINC000000404377, FDASRS:N77Q72C9I3, SureChEMBL:SCHEMBL110425, MolPort-002-462-001

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Chemical structure information

SMILES:
Cc1cncc(n1)C

InChI:
InChI=1S/C6H8N2/c1-5-3-7-4-6(2)8-5/h3-4H,1-2H3

InChIKey:
HJFZAYHYIWGLNL-UHFFFAOYSA-N

DeepSMILES:
Cccnccn6)C

Functional groups:
cnc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1cnccn1

Scaffold Graph/Node level:
C1CNCCN1

Scaffold Graph level:
C1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Diazines

ClassyFire Subclass: Pyrazines

NP Classifier Biosynthetic pathway: Alkaloids, Amino acids and Peptides

NP Classifier Superclass: Tetramate alkaloids, Peptide alkaloids

NP Classifier Class: Pyrazine and Piperazine alkaloids

NP-Likeness score: -0.842

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Chemical structure download