5-fluoro-1-[4-hydroxy-3,5-bis(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione

C10H13FN2O6 — CID 123782850

IUPAC5-fluoro-1-[4-hydroxy-3,5-bis(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(C2OC(CO)C(O)C2CO)cc1F
InChIInChI=1S/C10H13FN2O6/c11-5-1-13(10(18)12-8(5)17)9-4(2-14)7(16)6(3-15)19-9/h1,4,6-7,9,14-16H,2-3H2,(H,12,17,18)
InChIKeyFYJIMBGAKVIRLV-UHFFFAOYSA-N
MW276.22 g/mol
LogP-2.47
Rot. Bonds3

About 5-fluoro-1-[4-hydroxy-3,5-bis(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione

5-fluoro-1-[4-hydroxy-3,5-bis(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione (PubChem CID 123782850) has the molecular formula C10H13FN2O6 and a molecular weight of 276.22 g/mol. Its IUPAC name is 5-fluoro-1-[4-hydroxy-3,5-bis(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-fluoro-1-[4-hydroxy-3,5-bis(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
PubChem CID123782850
Molecular FormulaC10H13FN2O6
Molecular Weight276.22 g/mol
Exact Mass276.08
IUPAC Name5-fluoro-1-[4-hydroxy-3,5-bis(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(C2OC(CO)C(O)C2CO)cc1F
InChIInChI=1S/C10H13FN2O6/c11-5-1-13(10(18)12-8(5)17)9-4(2-14)7(16)6(3-15)19-9/h1,4,6-7,9,14-16H,2-3H2,(H,12,17,18)
InChIKeyFYJIMBGAKVIRLV-UHFFFAOYSA-N
XLogP-2.47
TPSA124.78 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.22
LogP ≤ 5-2.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-[4-hydroxy-3,5-bis(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione?
The IUPAC name of 5-fluoro-1-[4-hydroxy-3,5-bis(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione (CID 123782850) is 5-fluoro-1-[4-hydroxy-3,5-bis(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-fluoro-1-[4-hydroxy-3,5-bis(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione?
The canonical SMILES for 5-fluoro-1-[4-hydroxy-3,5-bis(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione is O=c1[nH]c(=O)n(C2OC(CO)C(O)C2CO)cc1F.
What is the InChIKey of 5-fluoro-1-[4-hydroxy-3,5-bis(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione?
The InChIKey is FYJIMBGAKVIRLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O6/c11-5-1-13(10(18)12-8(5)17)9-4(2-14)7(16)6(3-15)19-9/h1,4,6-7,9,14-16H,2-3H2,(H,12,17,18).
What are the key properties of 5-fluoro-1-[4-hydroxy-3,5-bis(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione?
5-fluoro-1-[4-hydroxy-3,5-bis(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione has a molecular weight of 276.22 g/mol, XLogP of -2.47, 3 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-[4-hydroxy-3,5-bis(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 123782850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).