Summary

IMPPAT Phytochemical identifier: IMPHY002046

Phytochemical name: 1-Methyluracil

Synonymous chemical names:
1-methyl-1h-pyrimidine-2,4-dione

External chemical identifiers:
CID:12009, ChEBI:69445, ZINC:ZINC000000409298, FDASRS:4ZB2484Q0M, SureChEMBL:SCHEMBL35355, MolPort-002-470-846

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Chemical structure information

SMILES:
Cn1ccc(=O)[nH]c1=O

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

InChIKey:
XBCXJKGHPABGSD-UHFFFAOYSA-N

DeepSMILES:
Cnccc=O)[nH]c6=O

Functional groups:
c=O, c[nH]c, cn(c)C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1cc[nH]c(=O)[nH]1

Scaffold Graph/Node level:
OC1CCNC(O)N1

Scaffold Graph level:
CC1CCCC(C)C1

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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: Pseudoalkaloids

NP Classifier Class: Purine alkaloids

NP-Likeness score: -0.458

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Chemical structure download