5,5':4',4'':5'',5'''-Quaterpyrimidine

HCID 616690

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Basic information

CAS: 56598-47-1
Standard SMILES: c1ncc(-c2cncnc2-c2ncncc2-c2cncnc2)cn1
InChIKey: RBDRTGCUCIKIPJ-UHFFFAOYSA-N
Molecular formula: C16H10N8
Average molar mass: 314.3 g/mol
Monoisotopic mass: 314.10284235

Names & identifiers

Preferred name: 5,5':4',4'':5'',5'''-Quaterpyrimidine
IUPAC: 5-pyrimidin-5-yl-4-(5-pyrimidin-5-ylpyrimidin-4-yl)pyrimidine
English name: 5,5':4',4'':5'',5'''-Quaterpyrimidine
Molecular formula: C16H10N8
Molecular weight: 314.3

Names & synonyms

5,5':4',4'':5'',5'''-Quaterpyrimidine56598-47-1DTXSID00346955RefChem:298199DTXCID60298027RBDRTGCUCIKIPJ-UHFFFAOYSA-N1~5~,2~5~:2~4~,3~4~:3~5~,4~5~-Quaterpyrimidine

Database identifiers

CAS: 56598-47-1
PubChem CID: 616690
DTXSID: DTXSID00346955
Nikkaji: J145.425K

Properties

Computed structural properties

XLogP: 0
Topological polar surface area: 103 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 8
Rotatable bonds: 3
Heavy atoms: 24
Formal charge: 0
Complexity: 346

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