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Heterocyclic building blocks

Spp86

Also known as SPP 86, 1-(1-Methylethyl)-3-(2-phenylethynyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, 1-Isopropyl-3-(phenylethynyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine

CAS 1357349-91-7Formula C16H15N5Molar mass 277.33 g/molEC 110-164-6
GHS signal word: Warning. Pictograms: Harmful or irritant
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Spp86 chemical structure, C16H15N5, CAS 1357349-91-7
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
1357349-91-7
Formula
C16H15N5
Molar mass
277.33 g/mol
EC number
110-164-6
HS code
293359
Category
Heterocyclic building blocks

What is Spp86?

Plain description, key identifiers and synonyms

Spp86 is a chemical substance with the molecular formula C16H15N5 and a molar mass of 277.33 g/mol. Its CAS registry number is 1357349-91-7. The IUPAC name is 3-(2-phenylethynyl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
3-(2-phenylethynyl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
CAS number
1357349-91-7
EC number
110-164-6
Molecular formula
C16H15N5
MDL number
MFCD23379049
InChIKey
JQOIRTDBHMDWMT-UHFFFAOYSA-N
InChI
InChI=1S/C16H15N5/c1-11(2)21-16-14(15(17)18-10-19-16)13(20-21)9-8-12-6-4-3-5-7-12/h3-7,10-11H,1-2H3,(H2,17,18,19)
SMILES (canonical and isomeric)
CC(C)N1C2=NC=NC(=C2C(=N1)C#CC3=CC=CC=C3)N

Synonyms

  • SPP 86
  • 1-(1-Methylethyl)-3-(2-phenylethynyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
  • 1-Isopropyl-3-(phenylethynyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
  • SPP-86?
  • 3-(2-phenylethynyl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
  • 1-Isopropyl-3-(2-phenylethynyl)pyrazolo[3,4-d]pyrimidin-4-amine
  • SPP86, >=98% (HPLC)
  • 3-(2-phenylethynyl)-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine

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
277.33 g/molcalc.
Exact mass
277.1327 Dacalc.
LogP (octanol/water)
2.39calc.
Topological polar surface area
69.62 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
1calc.
Heavy atoms
21calc.
Rings
3calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.19calc.
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, C(#Cc1n[nH]c2ncncc12)c1ccccc1

C(#Cc1n[nH]c2ncncc12)c1ccccc1

3 rings, 17 atoms.

1 other chemical share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Warning
GHS07: Harmful or irritant
Harmful or irritant

Hazard statements

  • H302Harmful if swallowed.
Precautionary statements (5)
  • P264Wash skin thoroughly after handling.
  • P270Do not eat, drink or smoke when using this product.
  • P301 + P317If swallowed: Get medical help.
  • P330Rinse mouth.
  • P501Dispose of contents and container in accordance with local regulations.

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

Full safety data and first aid

Spp86 suppliers

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Spp86 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 Spp86 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 Spp86 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Spp86, based on the data on this page

What is Spp86?

Spp86 is a chemical substance with the molecular formula C16H15N5 and a molar mass of 277.33 g/mol. Its CAS registry number is 1357349-91-7. The IUPAC name is 3-(2-phenylethynyl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine.

What is the CAS number of Spp86?

The CAS registry number of Spp86 is 1357349-91-7.

What is the molecular formula and weight of Spp86?

The molecular formula of Spp86 is C16H15N5 and its molar mass is 277.33 g/mol.

What is Spp86 used for?

Known uses and roles of Spp86 include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Spp86 hazardous?

Spp86 carries the GHS signal word "Warning". Main hazards: harmful if swallowed. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Spp86?

Spp86 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 Spp86?

Post a free request on CompoundList and suppliers of Spp86 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Spp86?

Suppliers quote Spp86 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 Spp86

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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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