Summary

IMPPAT Phytochemical identifier: IMPHY017064

Phytochemical name: 2,6,8-Trimethylpyrido[3,4-d]pyrimidin-4(1H)-one

Synonymous chemical names:
2,6,8-trimethylpyrido[3,4-d]pyrimidin-4(3h)-one

External chemical identifiers:
CID:135679867

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Chemical structure information

SMILES:
Cc1nc(C)c2c(c1)c(=O)[nH]c(n2)C

InChI:
InChI=1S/C10H11N3O/c1-5-4-8-9(6(2)11-5)12-7(3)13-10(8)14/h4H,1-3H3,(H,12,13,14)

InChIKey:
FIDWRZHJVOJWHR-UHFFFAOYSA-N

DeepSMILES:
CcncC)ccc6)c=O)[nH]cn6)C

Functional groups:
c=O, c[nH]c, cnc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1[nH]cnc2cnccc12

Scaffold Graph/Node level:
OC1NCNC2CNCCC12

Scaffold Graph level:
CC1CCCC2CCCCC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Pyridopyrimidines

ClassyFire Subclass: Pyrido[3,4-d]pyrimidines

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: -1.053

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Chemical structure download