4-Chloro-5H-pyrrolo[3,2-d]pyrimidin-2-amine

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4-Chloro-5H-pyrrolo[3,2-d]pyrimidin-2-amine structure
Structural Feature
Pyrrolopyrimidine scaffold
Reactive Feature
Amino heteroarene Heteroaryl chloride
Synthesis Role
Kinase inhibitor building block
Application Context
Pharmaceutical intermediate
CAS Number943736-58-1
Molecular FormulaC6H5ClN4
Molecular Weight168.58 g/mol
SMILESNc1nc(Cl)c2[nH]ccc2n1
InChIKeyNCSPBRYDQWLYLE-UHFFFAOYSA-N
Description4-Chloro-5H-pyrrolo[3,2-d]pyrimidin-2-amine, a chloroamino pyrrolopyrimidine. The 4-chloro is a nucleophilic aromatic substitution handle for kinase inhibitor synthesis.
ApplicationsPharmaceutical intermediate; pyrrolopyrimidine; kinase inhibitor intermediate
Hazard ClassSkin Irrit. 2; Eye Irrit. 2; STOT SE 3 (Resp)
Hazard StatementsH315; H319; H335
Precautionary StatementsP261; P264; P271; P280; P302+P352; P304+P340; P305+P351+P338; P312; P321; P332+P313; P337+P313; P362; P403+P233; P405; P501

Calculated / Predicted Properties

Estimated Boiling Point472.3 °C (predicted)
Estimated Density1.643 g/cm³ (predicted)