8-Hexyl-1,3,7-trimethyl-3,7-dihydro-1h-purine-2,6-dione

HCID 225232

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 5426-85-7
Standard SMILES: CCCCCCc1nc2c(c(=O)n(C)c(=O)n2C)n1C
InChIKey: KNRQMFMCQPOTJQ-UHFFFAOYSA-N
Molecular formula: C14H22N4O2
Average molar mass: 278.35 g/mol
Monoisotopic mass: 278.17427596

Names & identifiers

Preferred name: 8-Hexyl-1,3,7-trimethyl-3,7-dihydro-1h-purine-2,6-dione
IUPAC: 8-hexyl-1,3,7-trimethylpurine-2,6-dione

Names & synonyms

5426-85-78-Hexyl-1,3,7-trimethyl-1H-purine-2,6(3H,7H)-dione8-Hexyl-1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione8-hexyl-1,3,7-trimethyl-3,7-dihydro-1h-purine-2,6-dioneNSC14392DTXSID90969273NSC-14392

Database identifiers

CAS: 5426-85-7
PubChem CID: 225232
DTXSID: DTXSID90969273
Nikkaji: J3.131.963C

Properties

Computed structural properties

XLogP: 2.7
Topological polar surface area: 58.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 5
Heavy atoms: 20
Formal charge: 0
Complexity: 387

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…