Summary

IMPPAT Phytochemical identifier: IMPHY017518

Phytochemical name: 5-Methoxypyrimidin-4-ol

Synonymous chemical names:
4-hydroxy-5-methoxy pyrimidine

External chemical identifiers:
CID:581046, ZINC:ZINC000008100991, SureChEMBL:SCHEMBL6168921, MolPort-004-758-658

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Chemical structure information

SMILES:
COc1cnc[nH]c1=O

InChI:
InChI=1S/C5H6N2O2/c1-9-4-2-6-3-7-5(4)8/h2-3H,1H3,(H,6,7,8)

InChIKey:
WOKGGVGWBXBJPK-UHFFFAOYSA-N

DeepSMILES:
COccnc[nH]c6=O

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1ccnc[nH]1

Scaffold Graph/Node level:
OC1CCNCN1

Scaffold Graph level:
CC1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Diazines

ClassyFire Subclass: Pyrimidines and pyrimidine derivatives

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Histidine alkaloids

NP Classifier Class: Imidazole alkaloids

NP-Likeness score: -0.398

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Chemical structure download