Summary

IMPPAT Phytochemical identifier: IMPHY013768

Phytochemical name: 6-Methyl-1,3,5-triazine-2,4-diamine

Synonymous chemical names:
2,4-diamino-6-methyl-1,3,5-triazine

External chemical identifiers:
CID:10949, ChEMBL:CHEMBL1738722, ChEBI:72475, ZINC:ZINC000001555389, SureChEMBL:SCHEMBL36733, MolPort-046-861-144

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Chemical structure information

SMILES:
Cc1nc(N)nc(n1)N

InChI:
InChI=1S/C4H7N5/c1-2-7-3(5)9-4(6)8-2/h1H3,(H4,5,6,7,8,9)

InChIKey:
NJYZCEFQAIUHSD-UHFFFAOYSA-N

DeepSMILES:
CcncN)ncn6)N

Functional groups:
cN, cnc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ncncn1

Scaffold Graph/Node level:
C1NCNCN1

Scaffold Graph level:
C1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Triazines

ClassyFire Subclass: Aminotriazines

NP Classifier Biosynthetic pathway: Alkaloids

NP-Likeness score: -1.067

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Chemical structure download