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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 11789825Generated: October 23, 2026

Pyrimidine, 2-isocyanato-4,6-dimethoxy-

2-Isocyanato-4,6-dimethoxypyrimidine · 4,6-Dimethoxy-2-pyrimidinyl isocyanate · Pyrimidine, 2-isocyanato-4,6-dimethoxy-

https://huagongshe.com/en/chemical/11789825

Pyrimidine, 2-isocyanato-4,6-dimethoxy- molecular structure

Identifiers & Physical Properties

CAS No.111284-03-8
Molecular formulaC7H7N3O3
Average molar mass181.15 g/mol
Monoisotopic mass181.04874108 g/mol
SMILESCOc1cc(OC)nc(N=C=O)n1
InChIKeyHIRYVXKOUYSVQJ-UHFFFAOYSA-N
PubChem CID11789825
DTXSIDDTXSID70472795

Chemical & Physical Properties

XLogP1.9
Topological polar surface area73.7
Hydrogen bond donors0
Hydrogen bond acceptors6
Rotatable bonds3
Heavy atoms13
Formal charge0
Complexity193
Boiling point350.2±45.0 °C(Predicted)
Density1.29±0.1 g/cm3(Predicted)
pKa (acidity coefficient)-0.33±0.30(Predicted)