5-fluoro-1-[2-(1-hydroxyethyl)-3-(hydroxymethyl)cyclobutyl]pyrimidine-2,4-dione

C11H15FN2O4 — CID 67910682

IUPAC5-fluoro-1-[2-(1-hydroxyethyl)-3-(hydroxymethyl)cyclobutyl]pyrimidine-2,4-dione
SMILESCC(O)C1C(CO)CC1n1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C11H15FN2O4/c1-5(16)9-6(4-15)2-8(9)14-3-7(12)10(17)13-11(14)18/h3,5-6,8-9,15-16H,2,4H2,1H3,(H,13,17,18)
InChIKeyTXUYZSWHVWFDOA-UHFFFAOYSA-N
MW258.25 g/mol
LogP-0.77
Rot. Bonds3

About 5-fluoro-1-[2-(1-hydroxyethyl)-3-(hydroxymethyl)cyclobutyl]pyrimidine-2,4-dione

5-fluoro-1-[2-(1-hydroxyethyl)-3-(hydroxymethyl)cyclobutyl]pyrimidine-2,4-dione (PubChem CID 67910682) has the molecular formula C11H15FN2O4 and a molecular weight of 258.25 g/mol. Its IUPAC name is 5-fluoro-1-[2-(1-hydroxyethyl)-3-(hydroxymethyl)cyclobutyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-fluoro-1-[2-(1-hydroxyethyl)-3-(hydroxymethyl)cyclobutyl]pyrimidine-2,4-dione
PubChem CID67910682
Molecular FormulaC11H15FN2O4
Molecular Weight258.25 g/mol
Exact Mass258.10
IUPAC Name5-fluoro-1-[2-(1-hydroxyethyl)-3-(hydroxymethyl)cyclobutyl]pyrimidine-2,4-dione
SMILESCC(O)C1C(CO)CC1n1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C11H15FN2O4/c1-5(16)9-6(4-15)2-8(9)14-3-7(12)10(17)13-11(14)18/h3,5-6,8-9,15-16H,2,4H2,1H3,(H,13,17,18)
InChIKeyTXUYZSWHVWFDOA-UHFFFAOYSA-N
XLogP-0.77
TPSA95.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.25
LogP ≤ 5-0.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-[2-(1-hydroxyethyl)-3-(hydroxymethyl)cyclobutyl]pyrimidine-2,4-dione?
The IUPAC name of 5-fluoro-1-[2-(1-hydroxyethyl)-3-(hydroxymethyl)cyclobutyl]pyrimidine-2,4-dione (CID 67910682) is 5-fluoro-1-[2-(1-hydroxyethyl)-3-(hydroxymethyl)cyclobutyl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-fluoro-1-[2-(1-hydroxyethyl)-3-(hydroxymethyl)cyclobutyl]pyrimidine-2,4-dione?
The canonical SMILES for 5-fluoro-1-[2-(1-hydroxyethyl)-3-(hydroxymethyl)cyclobutyl]pyrimidine-2,4-dione is CC(O)C1C(CO)CC1n1cc(F)c(=O)[nH]c1=O.
What is the InChIKey of 5-fluoro-1-[2-(1-hydroxyethyl)-3-(hydroxymethyl)cyclobutyl]pyrimidine-2,4-dione?
The InChIKey is TXUYZSWHVWFDOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O4/c1-5(16)9-6(4-15)2-8(9)14-3-7(12)10(17)13-11(14)18/h3,5-6,8-9,15-16H,2,4H2,1H3,(H,13,17,18).
What are the key properties of 5-fluoro-1-[2-(1-hydroxyethyl)-3-(hydroxymethyl)cyclobutyl]pyrimidine-2,4-dione?
5-fluoro-1-[2-(1-hydroxyethyl)-3-(hydroxymethyl)cyclobutyl]pyrimidine-2,4-dione has a molecular weight of 258.25 g/mol, XLogP of -0.77, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-[2-(1-hydroxyethyl)-3-(hydroxymethyl)cyclobutyl]pyrimidine-2,4-dione is sourced from PubChem (CID 67910682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).