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Screening compounds

4T2WE87Ghl

Also known as 5-(2-bromo-4-butoxy-5-methoxy-benzyl)-pyrimidine-2,4-diamine, 2,4-Diamino-5-(2-bromo-4-butoxy-5-methoxybenzyl)pyrimidine, Pyrimidine, 2,4-diamino-5-(2-bromo-4-butoxy-5-methoxybenzyl)-

CAS 4871-63-0Formula C16H21BrN4O2Molar mass 381.27 g/mol
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4T2WE87Ghl chemical structure, C16H21BrN4O2, CAS 4871-63-0
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
4871-63-0
Formula
C16H21BrN4O2
Molar mass
381.27 g/mol
HS code
293359
Category
Screening compounds

What is 4T2WE87Ghl?

Plain description, key identifiers and synonyms

4T2WE87Ghl is a chemical substance with the molecular formula C16H21BrN4O2 and a molar mass of 381.27 g/mol. Its CAS registry number is 4871-63-0. The IUPAC name is 5-[(2-bromo-4-butoxy-5-methoxyphenyl)methyl]pyrimidine-2,4-diamine.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
5-[(2-bromo-4-butoxy-5-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CAS number
4871-63-0
Molecular formula
C16H21BrN4O2
UNII
4T2WE87GHL
InChIKey
BZLJWRVQIDTHCD-UHFFFAOYSA-N
InChI
InChI=1S/C16H21BrN4O2/c1-3-4-5-23-14-8-12(17)10(7-13(14)22-2)6-11-9-20-16(19)21-15(11)18/h7-9H,3-6H2,1-2H3,(H4,18,19,20,21)
SMILES (canonical and isomeric)
CCCCOC1=C(C=C(C(=C1)Br)CC2=CN=C(N=C2N)N)OC

Synonyms

  • 5-(2-bromo-4-butoxy-5-methoxy-benzyl)-pyrimidine-2,4-diamine
  • 2,4-Diamino-5-(2-bromo-4-butoxy-5-methoxybenzyl)pyrimidine
  • Pyrimidine, 2,4-diamino-5-(2-bromo-4-butoxy-5-methoxybenzyl)-
  • 2,4-Pyrimidinediamine, 5-[(2-bromo-4-butoxy-5-methoxyphenyl)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
381.27 g/molcalc.
Exact mass
380.0848 Dacalc.
LogP (octanol/water)
3.18calc.
Topological polar surface area
96.28 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
6calc.
Rotatable bonds
7calc.
Heavy atoms
23calc.
Rings
2calc.
Aromatic rings
2calc.
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, c1ccc(Cc2cncnc2)cc1

c1ccc(Cc2cncnc2)cc1

2 rings, 13 atoms, the 5-Benzylpyrimidine ring system.

375 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.

4T2WE87Ghl suppliers

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4T2WE87Ghl price

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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 4T2WE87Ghl 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 4T2WE87Ghl is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about 4T2WE87Ghl, based on the data on this page

What is 4T2WE87Ghl?

4T2WE87Ghl is a chemical substance with the molecular formula C16H21BrN4O2 and a molar mass of 381.27 g/mol. Its CAS registry number is 4871-63-0. The IUPAC name is 5-[(2-bromo-4-butoxy-5-methoxyphenyl)methyl]pyrimidine-2,4-diamine.

What is the CAS number of 4T2WE87Ghl?

The CAS registry number of 4T2WE87Ghl is 4871-63-0.

What is the molecular formula and weight of 4T2WE87Ghl?

The molecular formula of 4T2WE87Ghl is C16H21BrN4O2 and its molar mass is 381.27 g/mol.

What is 4T2WE87Ghl used for?

Known uses and roles of 4T2WE87Ghl include building blocks in research and laboratory and screening compounds in research and laboratory.

Is 4T2WE87Ghl hazardous?

No GHS hazard classification for 4T2WE87Ghl 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 4T2WE87Ghl?

4T2WE87Ghl 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 4T2WE87Ghl?

Post a free request on CompoundList and suppliers of 4T2WE87Ghl will send you quotes. Your contact details stay private until you accept a quote.

What is the price of 4T2WE87Ghl?

Suppliers quote 4T2WE87Ghl 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 4T2WE87Ghl

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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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