• Chemical structure of N1-Methylthymine, CAS 4160-72-9, ≥95% — N1-methylated thymine derivative used in nucleobase chemistry and as a precursor for selective N3-functionalisation of the pyrimidine-2,4-dione ring. Supplied by NorrChemica with DDP shipping. CoA and SDS provided.
  • 1H NMR of 1-Methylthymine, CAS 4160-72-9, batch NOR4160729-25-2, recorded in DMSO-d6 on a Bruker Avance 600 MHz spectrometer. Spectrum shows N3-H broad singlet near 11.0 ppm, pyrimidine C6-H singlet near 7.5 ppm, N1-methyl singlet near 3.3 ppm, and C5-methyl singlet near 1.8 ppm — consistent with N1-methyl, N3-H thymine. Supplied by NorrChemica with CoA and SDS.
  • 13C NMR of 1-Methylthymine, CAS 4160-72-9, batch NOR4160729-25-2, recorded in DMSO-d6 on a Bruker Avance 600 MHz spectrometer (150.81 MHz 13C). Spectrum shows two carbonyl signals at 164.4 and 151.2 ppm (C4 and C2 of the pyrimidinedione), pyrimidine C6 at 142.3 ppm, C5 at 108.1 ppm, N1-methyl at 34.9 ppm, and C5-methyl at 11.8 ppm — consistent with N1-methyl, N3-H thymine. Supplied by NorrChemica with CoA and SDS.
  • gHSQC 2D spectrum of 1-Methylthymine, CAS 4160-72-9, batch NOR4160729-25-2, recorded in DMSO-d6 on a Bruker Avance 600 MHz spectrometer. One-bond 1H-13C correlations: pyrimidine C6-H cross-peak near δH 7.5 / δC 142, N1-methyl near δH 3.3 / δC 34.9, and C5-methyl near δH 1.8 / δC 11.8 — consistent with N1-methyl, N3-H thymine. Supplied by NorrChemica with CoA and SDS.
  • gHMBC 2D spectrum of 1-Methylthymine, CAS 4160-72-9, batch NOR4160729-25-2, recorded in DMSO-d6 on a Bruker Avance 600 MHz spectrometer. Long-range 1H-13C correlations from N1-methyl (δH 3.3) to C2 and C6 confirm N1-methyl attachment; correlations from C5-methyl (δH 1.8) to C4, C5, and C6 confirm the thymine ring; pyrimidine C6-H (δH 7.5) correlates to C2, C4, and C5-methyl, completing the ring assignment. Supplied by NorrChemica with CoA and SDS.
  • NorrChemica research chemicals — EU-based supplier with DDP shipping. CoA and SDS provided.
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NorrChemica™

N1-Methylthymine | CAS 4160-72-9 | ≥95%

N1-Methylthymine | CAS 4160-72-9 | ≥95%

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Technical Specifications

CAS Number 4160-72-9
EC / EINECS Number 853-778-6
MDL Number MFCD00056055
SMILES CC1=CN(C(=O)NC1=O)C
InChI InChI=1S/C6H8N2O2/c1-4-3-8(2)6(10)7-5(4)9/h3H,1-2H3,(H,7,9,10)
InChIKey GKMIDMKPBOUSBQ-UHFFFAOYSA-N
PubChem CID 95961
Molecular Formula C6H8N2O2
Molecular Weight 140.14 g/mol
Melting Point 292-293 °C
Solubility Soluble in DMSO, poorly soluble in water
Purity ≥95%
Physical Form White to off-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

  • Clean entry point to N3-functionalised thymine derivatives. N3-alkylation, N3-arylation, N3-acylation, and N3-glycosylation of thymine are regioselectivity-sensitive because the pyrimidine-2,4-dione ring contains two non-equivalent nitrogens (N1 and N3), with uncontrolled reactions giving mixtures of N1-, N3-, and N1,N3-disubstituted products. In 1-methylthymine, N1 is permanently methylated, removing that competition and directing every subsequent N-functionalisation to N3 in a single regioselective step. This makes 1-methylthymine a practical platform for the preparation of N3-substituted thymines, including compounds such as N1-Methyl-N3-Benzylthymine (also available from NorrChemica), and of N3-aryl, N3-acyl, N3-glycosyl, and N3-PEG analogues. The permanently installed N1-methyl group sits on the same chemical axis as the N1-methylpyrimidine motif explored in modified-mRNA chemistry (N1-methylpseudouridine), placing this compound at the upstream end of a synthetic route toward N1-methylated, doubly N-substituted thymine scaffolds.
  • Complementary scope to N1-acetylthymine for thymine-ring functionalisation. Both 1-methylthymine and N1-acetylthymine (also available from NorrChemica) enable selective N3-functionalisation by blocking N1, but they serve different downstream chemistry. N1-acetylthymine carries a removable N1-acetyl protecting group on a preformed nucleoside, designed to be cleaved after N3 modification to regenerate canonical N1-glycosylated thymine analogues for antisense, mRNA, and standard nucleoside-drug research. 1-Methylthymine carries a permanent N1-methyl group on the free base, designed to remain installed after N3 functionalisation, generating doubly N-substituted thymines for non-canonical nucleobase and modified-pyrimidine research where the N1-methyl group is part of the target architecture.
  • Established reference compound for thymine base-pair, photophysics, and tautomer studies. 1-Methylthymine is a long-standing model base for studies on Watson–Crick A–T pairing, tautomeric equilibria of the pyrimidine-2,4-dione ring, electronic and vibrational spectroscopy of nucleobases, and photophysics of damaged DNA bases. The N1-methyl group mimics the N1-glycoside of natural thymidine while removing sugar-derived complexity from spectroscopic and crystallographic measurements, making 1-methylthymine widely used as a thymidine surrogate in physical-organic and biophysical nucleic-acid research.

Shipping Destinations

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

The NorrChemica™ Standard

Identity Verified — Batch-verified via analytical QC; documentation available on request.

Direct EU Distribution — Dispatched from Finland for fast delivery to EU-based laboratories.

Professional Logistics — Tracked courier shipping via UPS / Matkahuolto / Posti.

Packaging & Storage

  • Supplied in tightly sealed containers suitable for laboratory handling.
  • Store under recommended conditions as specified on the product label and SDS.
  • Retest period per lot-specific CoA / label under recommended conditions.

Technical Documentation

  • Batch-specific Certificate of Analysis (CoA) included with every order.
  • GHS-compliant Safety Data Sheet (SDS) provided with every shipment.
  • Batch documentation available for institutional procurement.
Payment: Wise (Bank Transfer) or Manual Invoice.
Disclaimer: Research Use Only (RUO) — not for human or veterinary use. Sold strictly for laboratory research and technical applications. By purchasing this item, the buyer confirms professional intent and compliance with applicable regulations.

Safety Information

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

NorrChemica™ is a Finnish supplier of niche research reagents — focused on reliable EU distribution, transparent analytical documentation, and specialist technical support.

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