HuagongsheHuagongshe Chemistry Print Report · For research reference only

HCID 259752Generated: October 27, 2026

5-Nitroso-4,6-pyrimidinediamine

5-nitroso-pyrimidine-4,6-diamine · 4,6-Pyrimidinediamine, 5-nitroso- · 4,6-Pyrimidinediamine, 5-nitroso- (9CI)

https://huagongshe.com/en/chemical/259752

5-Nitroso-4,6-pyrimidinediamine molecular structure

Identifiers & Physical Properties

CAS No.	61908-15-4
Molecular formula	C4H5N5O
Average molar mass	139.12 g/mol
Monoisotopic mass	139.04940978 g/mol
SMILES	Nc1ncnc(N)c1N=O
InChIKey	XOUCPTSENBHIRW-UHFFFAOYSA-N
PubChem CID	259752
EC No.	654-702-2
DTXSID	DTXSID60210941

Chemical & Physical Properties

XLogP	-0.6
Topological polar surface area	107
Hydrogen bond donors	2
Hydrogen bond acceptors	6
Rotatable bonds	0
Heavy atoms	10
Formal charge	0
Complexity	119
Melting point	>350 °C
Boiling point	455.1±45.0 °C(Predicted)
Density	1.89±0.1 g/cm3(Predicted)
pKa (acidity coefficient)	3.07±0.10(Predicted)
FDA UNII	RV93F0GGU3
GHS pictogram	GHS07
Signal word	Warning
GHS hazard statements	H319-H302-H317
GHS precautionary statements	P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501

Safety & Regulations

GHS classification	WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P272, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and Categories	Acute Tox. 4 (100%)
Signal word	Warning
GHS pictogram	GHS07
GHS hazard statements	H319-H302-H317
GHS precautionary statements	P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501

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