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Screening compounds

Lupitidine

Also known as Lupitidinum, lupitidina, 2-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethylamino]-5-[(6-methylpyridin-3-yl)methyl]-1H-pyrimidin-6-one

CAS 83903-06-4Formula C21H27N5O2SMolar mass 413.55 g/mol
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Lupitidine chemical structure, C21H27N5O2S, CAS 83903-06-4
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
83903-06-4
Formula
C21H27N5O2S
Molar mass
413.55 g/mol
HS code
293499
Category
Screening compounds

What is Lupitidine?

Plain description, key identifiers and synonyms

Lupitidine is a chemical substance with the molecular formula C21H27N5O2S and a molar mass of 413.55 g/mol. Its CAS registry number is 83903-06-4. The IUPAC name is 2-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethylamino]-5-[(6-methyl-3-pyridinyl)methyl]-1H-pyrimidin-6-one.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
2-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethylamino]-5-[(6-methyl-3-pyridinyl)methyl]-1H-pyrimidin-6-one
CAS number
83903-06-4 CAS number cross-checked
Molecular formula
C21H27N5O2S
UNII
WF028DWK9N
InChIKey
IKEHSFKMCULMKJ-UHFFFAOYSA-N
InChI
InChI=1S/C21H27N5O2S/c1-15-4-5-16(11-23-15)10-17-12-24-21(25-20(17)27)22-8-9-29-14-19-7-6-18(28-19)13-26(2)3/h4-7,11-12H,8-10,13-14H2,1-3H3,(H2,22,24,25,27)
SMILES (canonical and isomeric)
CC1=NC=C(C=C1)CC2=CN=C(NC2=O)NCCSCC3=CC=C(O3)CN(C)C

Synonyms

  • Lupitidinum
  • lupitidina
  • 2-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethylamino]-5-[(6-methylpyridin-3-yl)methyl]-1H-pyrimidin-6-one
  • 2-((2-(((5-((Dimethylamino)methyl)-2-furanyl)methyl)thio)ethyl)amino)-5-((6-methyl-3-pyridinyl)methyl)-4(1H)-pyrimidinone
  • 2-((2-((5-((Dimethylamino)methyl)furfuryl)thio)ethyl)amino)-5-((6-methyl-3-pyridyl)methyl)-4-(1H)-pyrimidinone
  • 2-({2-[({5-[(Dimethylamino)methyl]furan-2-yl}methyl)sulfanyl]ethyl}amino)-5-[(6-methylpyridin-3-yl)methyl]pyrimidin-4(1H)-one
  • 2-[2-(5-dimethylaminomethyl-2-furylmethylthio)ethylamino]-5-(6-methyl-3-pyridylmethyl)-4-pyrimidone
  • 2-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethylamino]-5-[(6-methyl-3-pyridinyl)methyl]-1H-pyrimidin-6-one
  • 4(1H)-pyrimidinone, 2((-2-(((5-((dimethylamino)methyl)-2-furanyl)methyl)thio)ethyl)amino)-5-((6-methyl-3-pyridinyl)methyl)-
  • 4(1H)-Pyrimidinone, 2-((2-(((5-((dimethylamino)methyl)-2-furanyl)methyl)thio)ethyl)amino)-5-((6-methyl-3-pyridinyl)methyl)-

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
413.55 g/molcalc.
Exact mass
413.1885 Dacalc.
LogP (octanol/water)
3.06calc.
Topological polar surface area
87.05 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
7calc.
Rotatable bonds
10calc.
Heavy atoms
29calc.
Rings
3calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.38calc.
Formal charge
0calc.
Stereocentres
0calc.
Lipinski rule of five
Passes (0 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, O=c1[nH]c(NCCSCc2ccco2)ncc1Cc1cccnc1

O=c1[nH]c(NCCSCc2ccco2)ncc1Cc1cccnc1

3 rings, 24 atoms.

3 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Lupitidine suppliers

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Lupitidine price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Lupitidine is traded under.

HS 2934.99Indicative HS code

Nucleic acids and their salts, other heterocyclic compounds, not elsewhere classified in heading 2934

World exports in 2024
$26.7B
+15.0% vs 2023, imports $26.3B
2019 to 2024
Top exporters
  1. Ireland26.3%
  2. China15.7%
  3. Singapore10.3%
Top importers
  1. United States24.5%
  2. Germany23.1%
  3. Japan4.5%
Reported customs values in USD, not prices.Full trade data

The HS code shown for Lupitidine is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Lupitidine, based on the data on this page

What is Lupitidine?

Lupitidine is a chemical substance with the molecular formula C21H27N5O2S and a molar mass of 413.55 g/mol. Its CAS registry number is 83903-06-4. The IUPAC name is 2-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethylamino]-5-[(6-methyl-3-pyridinyl)methyl]-1H-pyrimidin-6-one.

What is the CAS number of Lupitidine?

The CAS registry number of Lupitidine is 83903-06-4.

What is the molecular formula and weight of Lupitidine?

The molecular formula of Lupitidine is C21H27N5O2S and its molar mass is 413.55 g/mol.

What is Lupitidine used for?

Known uses and roles of Lupitidine include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Lupitidine hazardous?

No GHS hazard classification for Lupitidine is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Lupitidine?

Lupitidine is usually classified under HS code 293499 (Nucleic acids and their salts, whether or not chemically defined, other heterocyclic…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Lupitidine?

Post a free request on CompoundList and suppliers of Lupitidine will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Lupitidine?

Suppliers quote Lupitidine on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle Lupitidine

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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