4-Ethynylpyrimidin-2-amine

CAS No. 1207175-18-5
Cat. No. CS-0050865
Purity≥98%
MDL No.None

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
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Description

4-Ethynylpyrimidin-2-amine features a reactive terminal alkyne paired with a pyrimidine amine scaffold, enabling efficient copper-catalyzed azide-alkyne cycloaddition (CuAAC) for bioconjugation and modular library synthesis. The electron-deficient pyrimidine ring enhances regioselectivity in coupling reactions, while the bench-stable alkyne facilitates handling under standard conditions.

Application

4-Ethynylpyrimidin-2-amine serves as a versatile building block in medicinal chemistry, enabling efficient access to pyrimidine-based scaffolds via copper-catalyzed azide-alkyne cycloaddition (CuAAC). The terminal alkyne functionality facilitates conjugation with azides, while the pyrimidin-2-amine moiety provides hydrogen-bonding capacity and compatibility with diverse downstream transformations. Bench-stable and readily purified by chromatography, it functions effectively in both small-molecule library synthesis and modular drug discovery workflows.

General Information

CAS No. 1207175-18-5
Cat. No. CS-0050865
Purity ≥98%
MDL No. None
Storage 4°C, protect from light, stored under nitrogen
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₆H₅N₃
Molecular Weight 119.12
Synonym(s) 4-(Prop-1-ynyl)pyrimidin-2-amine
SMILES NC1=NC(=CC=N1)C#C

Computational Chemistry Data

TPSA 51.8
LogP 0.0401
H_Acceptors 3
H_Donors 1
Rotatable_Bonds 0

Safety Information

Download SDS

GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H302-H315-H320-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

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Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Pyrimidine compounds

Key Words

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4-Ethynylpyrimidin-2-amine

CAS No. 1207175-18-5

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