Summary

IMPPAT Phytochemical identifier: IMPHY016769

Phytochemical name: 6-Dimethylaminopurine

Synonymous chemical names:
n,n-dimethyl-(1h)-purin-6-amine

External chemical identifiers:
CID:3134, ChEMBL:CHEMBL407391, ChEBI:60281, ZINC:ZINC000013516321, FDASRS:649SA4S2CV, SureChEMBL:SCHEMBL152593, MolPort-003-984-182

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Chemical structure information

SMILES:
CN(c1ncnc2c1[nH]cn2)C

InChI:
InChI=1S/C7H9N5/c1-12(2)7-5-6(9-3-8-5)10-4-11-7/h3-4H,1-2H3,(H,8,9,10,11)

InChIKey:
BVIAOQMSVZHOJM-UHFFFAOYSA-N

DeepSMILES:
CNcncncc6[nH]cn5)))))))))C

Functional groups:
cN(C)C, c[nH]c, cnc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ncc2[nH]cnc2n1

Scaffold Graph/Node level:
C1NCC2NCNC2N1

Scaffold Graph level:
C1CCC2CCCC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Imidazopyrimidines

ClassyFire Subclass: Purines and purine derivatives

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Pseudoalkaloids

NP Classifier Class: Purine alkaloids

NP-Likeness score: -1.055

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Chemical structure download