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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 79607Generated: October 26, 2026

4,6-Pyrimidinediamine, monohydrochloride

pyrimidine-4,6-diamine hydrochloride · 4,6-Pyrimidinediamine,hydrochloride (1:1)

https://huagongshe.com/en/chemical/79607

4,6-Pyrimidinediamine, monohydrochloride molecular structure

Identifiers & Physical Properties

CAS No.5468-67-7
Molecular formulaC4H7ClN4
Average molar mass146.58 g/mol
Monoisotopic mass146.0359239 g/mol
SMILESCl.Nc1cc(N)ncn1
InChIKeyMVZWLBUGTZKZMN-UHFFFAOYSA-N
PubChem CID79607
EC No.226-788-8
DTXSIDDTXSID2063927

Chemical & Physical Properties

Topological polar surface area77.8
Hydrogen bond donors3
Hydrogen bond acceptors4
Rotatable bonds0
Heavy atoms9
Formal charge0
Complexity66.4
FDA UNII6PM8PHM86V
EPA Substance Registry System4,6-Pyrimidinediamine, monohydrochloride (5468-67-7)
TSCA inventory statusTSCA listed

Safety & Regulations

GHS classificationWarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard Classes and CategoriesAcute Tox. 4 (100%)
TSCA inventory statusTSCA listed