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Heterocyclic building blocks

Isbufylline

Also known as Isbufilina, Isbufyllinum, 1,3-dimethyl-7-isobutylxanthine

CAS 90162-60-0Formula C11H16N4O2Molar mass 236.28 g/mol
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Isbufylline chemical structure, C11H16N4O2, CAS 90162-60-0
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
90162-60-0
Formula
C11H16N4O2
Molar mass
236.28 g/mol
HS code
293359
Category
Heterocyclic building blocks

What is Isbufylline?

Plain description, key identifiers and synonyms

Isbufylline is a chemical substance with the molecular formula C11H16N4O2 and a molar mass of 236.28 g/mol. Its CAS registry number is 90162-60-0. The IUPAC name is 1,3-dimethyl-7-(2-methylpropyl)purine-2,6-dione.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
1,3-dimethyl-7-(2-methylpropyl)purine-2,6-dione
CAS number
90162-60-0 CAS number cross-checked
Molecular formula
C11H16N4O2
UNII
9C8Z5F38D0
InChIKey
WHUWQSQEVISUMC-UHFFFAOYSA-N
InChI
InChI=1S/C11H16N4O2/c1-7(2)5-15-6-12-9-8(15)10(16)14(4)11(17)13(9)3/h6-7H,5H2,1-4H3
SMILES (canonical and isomeric)
CC(C)CN1C=NC2=C1C(=O)N(C(=O)N2C)C

Synonyms

  • Isbufilina
  • Isbufyllinum
  • 1,3-dimethyl-7-isobutylxanthine
  • isbufillina
  • 7-Isobutyltheophylline
  • Theophylline, 7-isobutyl-
  • 1,3-dimethyl-7-(2-methylpropyl)purine-2,6-dione
  • 1,3-Dimethyl-7-isobutyl-xanthine
  • 1,3-dimethyl-7-(2-methylpropyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
  • 3,7-Dihydro-1,3-dimethyl-7-(2-methylpropyl)-1H-purine-2,6-dione
  • 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(2-methylpropyl)-
  • 1,3-dimethyl-7-(2-methylpropyl)-3,7-dihydro-1H-purine-2,6-dione
  • 7-Isobutyl-1,3-dimethylxanthine
  • Theophylline,
  • N -(2-Methylpropyl),
  • Te06
  • Cambridge id 6254600
  • 7-isobutyl-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
  • 7-isobutyl-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione
  • 1,3-dimethyl-7-(2-methylpropyl)-1,3,7-trihydropurine-2,6-dione

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
236.28 g/molcalc.
Exact mass
236.1273 Dacalc.
LogP (octanol/water)
0.09calc.
Topological polar surface area
61.82 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
2calc.
Heavy atoms
17calc.
Rings
2calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.55calc.
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(=O)c2[nH]cnc2[nH]1

O=c1[nH]c(=O)c2[nH]cnc2[nH]1

2 rings, 11 atoms, the Xanthine ring system.

1,880 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.

Isbufylline suppliers

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Isbufylline 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 Isbufylline is traded under.

HS 2933.59Indicative HS code

Compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring, other

World exports in 2024
$18.4B
+10.5% vs 2023, imports $24.8B
2019 to 2024
Top exporters
  1. Ireland43.6%
  2. Switzerland * partner reported26.3%
  3. China7.9%
Top importers
  1. Slovenia30.3%
  2. United States30.1%
  3. Germany15.3%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

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

Frequently asked questions

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

What is Isbufylline?

Isbufylline is a chemical substance with the molecular formula C11H16N4O2 and a molar mass of 236.28 g/mol. Its CAS registry number is 90162-60-0. The IUPAC name is 1,3-dimethyl-7-(2-methylpropyl)purine-2,6-dione.

What is the CAS number of Isbufylline?

The CAS registry number of Isbufylline is 90162-60-0.

What is the molecular formula and weight of Isbufylline?

The molecular formula of Isbufylline is C11H16N4O2 and its molar mass is 236.28 g/mol.

What is Isbufylline used for?

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

Is Isbufylline hazardous?

No GHS hazard classification for Isbufylline 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 Isbufylline?

Isbufylline is usually classified under HS code 293359 (Compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Isbufylline?

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

What is the price of Isbufylline?

Suppliers quote Isbufylline 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 Isbufylline

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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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