5-Fluoro-1-[2-hydroxy-4-(hydroxymethyl)cyclopentyl]pyrimidine-2,4-dione

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Basic information

CAS: 78336-04-6
Standard SMILES: O=c1[nH]c(=O)n(C2CC(CO)CC2O)cc1F
InChIKey: QHTRUFIZOPJXNT-UHFFFAOYSA-N
Molecular formula: C10H13FN2O4
Average molar mass: 244.22 g/mol
Monoisotopic mass: 244.08593506

Names & identifiers

Preferred name: 5-Fluoro-1-[2-hydroxy-4-(hydroxymethyl)cyclopentyl]pyrimidine-2,4-dione
IUPAC: 5-fluoro-1-[2-hydroxy-4-(hydroxymethyl)cyclopentyl]pyrimidine-2,4-dione

Names & synonyms

NSC30912578336-04-65-fluoro-1-[2-hydroxy-4-(hydroxymethyl)cyclopentyl]pyrimidine-2,4-dioneCHEMBL44189DTXSID80316954NSC-309125DS-0089625-Fluoro-1-[2-hydroxy-4-(hydroxymethyl)cyclopentyl]pyrimidine-2,4(1H,3H)-dione

Database identifiers

CAS: 78336-04-6
PubChem CID: 328834
DTXSID: DTXSID80316954
ChEMBL: CHEMBL44189

Properties

Computed structural properties

XLogP: -1
Topological polar surface area: 89.9 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 5
Rotatable bonds: 2
Heavy atoms: 17
Formal charge: 0
Complexity: 385

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Compound notes

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