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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 22060774Generated: October 23, 2026

N2,N4-bis(4-cyanomethylphenyl)-5-ethoxycarbonyl-2,4-pyrimidinediamine

https://huagongshe.com/en/chemical/22060774

N2,N4-bis(4-cyanomethylphenyl)-5-ethoxycarbonyl-2,4-pyrimidinediamine molecular structure

Identifiers & Physical Properties

Molecular formulaC23H20N6O2
Average molar mass412.4 g/mol
Monoisotopic mass412.1647739 g/mol
SMILESCCOC(=O)c1cnc(Nc2ccc(CC#N)cc2)nc1Nc1ccc(CC#N)cc1
InChIKeyOBKBNJHVNUSTAR-UHFFFAOYSA-N
PubChem CID22060774

Chemical & Physical Properties

XLogP4
Topological polar surface area124
Hydrogen bond donors2
Hydrogen bond acceptors8
Rotatable bonds9
Heavy atoms31
Formal charge0
Complexity666