• Chemical structure of N1-Benzyl-N3-Phenylthymine, PubChem CID 15867825, ≥97% — doubly N-substituted thymine derivative used in nucleobase chemistry and chemoselective N-alkylation methodology research. Supplied by NorrChemica with DDP shipping. CoA
  • 1H NMR of N1-Benzyl-N3-Phenylthymine, batch NOR51003552-25-1, recorded in DMSO-d6 on a Bruker Avance 500 MHz spectrometer. Spectrum shows aromatic signals between 7.2–7.8 ppm (Ar-H and pyrimidine C-H), N-CH2 benzyl methylene singlet near 5.0 ppm, and the C5 methyl singlet near 1.9 ppm — consistent with N1-benzyl, N3-phenyl substitution of thymine. Supplied by NorrChemica with CoA and SDS.
  • 13C NMR of N1-Benzyl-N3-Phenylthymine, batch NOR51003552-25-1, recorded in DMSO-d6 on a Bruker Avance 500 MHz spectrometer (125.69 MHz 13C). Spectrum shows two carbonyl signals at 163.2 and 151.1 ppm (C2 and C4 of the pyrimidinedione), aromatic carbons between 127–140 ppm, C5 at 108.7 ppm, N-CH2 benzyl carbon at 51.2 ppm, and C5 methyl at 12.6 ppm — consistent with N1-benzyl, N3-phenyl substitution of thymine. Supplied by NorrChemica with CoA and SDS.
  • gHSQC 2D spectrum of N1-Benzyl-N3-Phenylthymine, batch NOR51003552-25-1, recorded in DMSO-d6 on a Bruker Avance 500 MHz spectrometer. One-bond 1H-13C correlations: aromatic CH cross-peaks near δH 7.2–7.8 / δC 127–140, N-CH2 benzyl cross-peak near δH 5.0 / δC 51, and C5-CH3 cross-peak near δH 1.9 / δC 12.6 — consistent with N1-benzyl, N3-phenyl substitution of thymine. Supplied by NorrChemica with CoA and SDS.
  • gHMBC 2D spectrum of N1-Benzyl-N3-Phenylthymine, batch NOR51003552-25-1, recorded in DMSO-d6 on a Bruker Avance 500 MHz spectrometer. Long-range 1H-13C correlations from N-CH2 benzyl protons (δH 5.0) to thymine C2/C6 and benzyl ipso/ortho carbons confirm N1-benzyl attachment; correlations from C5-CH3 (δH 1.9) to C4, C5, and C6 confirm thymine ring; phenyl-H to C2 correlations support N3-phenyl attachment. Supplied by NorrChemica with CoA and SDS.
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NorrChemica™

N1-Benzyl-N3-Phenylthymine

PubChem CID: 15867825 ≥97%

N1-Benzyl-N3-Phenylthymine | PubChem CID: 15867825 | ≥97%

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€104,00 EUR
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Technical Specifications

SMILES C1=CC=C(C=C1)CN2C=CC(=O)N(C2=O)C3=CC=CC=C3
InChI InChI=1S/C17H14N2O2/c20-16-11-12-18(13-14-7-3-1-4-8-14)17(21)19(16)15-9-5-2-6-10-15/h1-12H,13H2
InChIKey GLDGVXRTOLRHMM-UHFFFAOYSA-N
PubChem CID 15867825
Molecular Formula C17H14N2O2
Molecular Weight 278.3 g/mol
Solubility Soluble in chloroform, ethyl acetate, DMSO. Insoluble in water
Purity ≥97%
Physical Form White solid
HS Code 2933.59
Shelf Life Retest period: 36 months from date of manufacture
Storage Conditions Store in a cool, dry place in a tightly sealed container

Product Description & Scientific Applications

Proposed building block for next-generation modified-nucleobase and oligonucleotide chemistry. As RNA and oligonucleotide technologies expand beyond canonical base modifications such as N1-methylpseudouridine, new nucleobase chemical spaces may help address emerging challenges in transcript stability, immunomodulation, base-pairing fidelity, and synthetic recognition. This doubly N-substituted thymine, featuring simultaneous N1 and N3 functionalisation, offers an underexplored structural module that may be evaluated as a precursor in modified-thymidine, antisense, aptamer, and non-natural base-pair research where deliberate disruption of canonical hydrogen bonding is part of the design strategy.

Ready-to-use N3-aryl thymine intermediate for downstream nucleoside chemistry. N3-functionalisation of pyrimidine-2,4-diones is a regioselectivity-sensitive target because the thymine ring contains two non-equivalent endocyclic nitrogens, with N1/N3 isomer formation a recurring problem in nucleobase alkylation and glycosylation chemistry. This compound delivers the N3-aryl substitution preinstalled. After N1 debenzylation, the regenerated N1–H base can be evaluated for N-glycosylation with ribose or deoxyribose donors, opening a route to N3-aryl thymidine analogues that avoids performing N3-arylation in the presence of a sugar.

Proposed H-bond-ablated thymine analogue for non-natural base-pair research. Installation of the N3-phenyl group removes the Watson–Crick H-bond donor that contributes to natural A–T pairing in DNA and U–A pairing in RNA. The compound may serve as an exploratory probe or model base for hydrophobic and stacking-driven base-pair analogues, universal/wobble base design, and supramolecular self-assembly of pyrimidine motifs where N3–H donation is intentionally absent.

Pyrimidine-2,4-dione scaffold variant for medicinal chemistry and chemical biology. The pyrimidine-2,4-dione core is a recurrent medicinal-chemistry motif, including in antiviral and enzyme-inhibitor scaffold families. This compound is offered as a chemically defined, doubly N-substituted scaffold variant for SAR exploration where both ring nitrogens are deliberately blocked with distinct aryl and benzyl substituents.

Shipping Destinations

  • EU & UK: Priority delivery, 2–5 business days.
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  • EFTA Countries (DDP): 3–7 business days, duties and taxes prepaid.
  • Worldwide: 7–14 business days, selected locations.

Safety Information

Hazard Class None — not subject to transport regulations
Transport Category Not classified as dangerous goods for transport (ADR/IATA/IMDG)

Documentation

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