5-Chloro-1,4-dihydropyrimido[5,4-e][1,2,4]triazine

CAS No. 91115-01-4
Cat. No. CS-0089542
Purity≥98%
MDL No.None

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5-Chloro-1,4-dihydropyrimido[5,4-e][1,2,4]triazine|CS-0089542

Structure of 91115-01-4

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Description

5-Chloro-1,4-dihydropyrimido[5,4-e][1,2,4]triazine is a heterocyclic scaffold featuring a chlorinated pyrimidine core fused to a triazine ring. This electron-deficient system enables selective coupling reactions in medicinal chemistry and materials synthesis. The molecule exhibits bench-stable handling and compatibility with diverse functional groups, facilitating integration into complex molecular architectures.

Application

5-Chloro-1,4-dihydropyrimido[5,4-e][1,2,4]triazine serves as a versatile building block for constructing biologically relevant heterocyclic scaffolds. The chlorine atom at the 5-position enables efficient nucleophilic substitution, facilitating the introduction of diverse amine and thiol derivatives under mild conditions. Its stability under standard bench handling and compatibility with common protecting group strategies make it ideal for modular synthesis in medicinal chemistry and process development workflows.

General Information

CAS No. 91115-01-4
Cat. No. CS-0089542
Purity ≥98%
MDL No. None
Storage -20°C, sealed storage, away from moisture
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₅H₄ClN₅
Molecular Weight 169.57
Synonym(s) 5-Chloro-1,2-dihydropyrimido[5,4-e][1,2,4]triazine
SMILES ClC1=C2NC=NNC2=NC=N1

Computational Chemistry Data

TPSA 62.2
LogP 0.9107
H_Acceptors 5
H_Donors 2
Rotatable_Bonds 0

Safety Information

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GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H302-H315-H319
Precautionary Statements : P264-P270-P280-P302+P352-P330-P362+P364-P501

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Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Pyrimidine compounds

Key Words

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5-Chloro-1,4-dihydropyrimido[5,4-e][1,2,4]triazine

CAS No. 91115-01-4

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