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5-Ethyl-6-methyl-2-ureido-4(3H)-pyrimidine

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

5-Ethyl-6-methyl-2-ureido-4(3H)-pyrimidine
SpectraBase Compound ID 8ukCeWjCEbB
InChI InChI=1S/C8H12N4O2/c1-3-5-4(2)10-8(11-6(5)13)12-7(9)14/h3H2,1-2H3,(H4,9,10,11,12,13,14)
InChIKey KRHLFULMQQLJOS-UHFFFAOYSA-N
Mol Weight 196.21 g/mol
Molecular Formula C8H12N4O2
Exact Mass 196.096026 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID BahseoqtVSs
Name 5-Ethyl-6-methyl-2-ureido-4(3H)-pyrimidine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 196.096025640 u
Formula C8H12N4O2
InChI InChI=1S/C8H12N4O2/c1-3-5-4(2)10-8(11-6(5)13)12-7(9)14/h3H2,1-2H3,(H4,9,10,11,12,13,14)
InChIKey KRHLFULMQQLJOS-UHFFFAOYSA-N
Molecular Weight 196.210 g/mol
SMILES C1(NC(=NC(=C1CC)C)NC(N)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.972666