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

C9H11FN2O4 — CID 24773982

IUPAC5-fluoro-3-(hydroxymethyl)-1-[(2R)-oxolan-2-yl]pyrimidine-2,4-dione
SMILESO=c1c(F)cn([C@H]2CCCO2)c(=O)n1CO
InChIInChI=1S/C9H11FN2O4/c10-6-4-11(7-2-1-3-16-7)9(15)12(5-13)8(6)14/h4,7,13H,1-3,5H2/t7-/m1/s1
InChIKeyJDDDDOBTZSUOHS-SSDOTTSWSA-N
MW230.19 g/mol
LogP-0.59
Rot. Bonds2

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

5-fluoro-3-(hydroxymethyl)-1-[(2R)-oxolan-2-yl]pyrimidine-2,4-dione (PubChem CID 24773982) has the molecular formula C9H11FN2O4 and a molecular weight of 230.19 g/mol. Its IUPAC name is 5-fluoro-3-(hydroxymethyl)-1-[(2R)-oxolan-2-yl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-fluoro-3-(hydroxymethyl)-1-[(2R)-oxolan-2-yl]pyrimidine-2,4-dione
PubChem CID24773982
Molecular FormulaC9H11FN2O4
Molecular Weight230.19 g/mol
Exact Mass230.07
IUPAC Name5-fluoro-3-(hydroxymethyl)-1-[(2R)-oxolan-2-yl]pyrimidine-2,4-dione
SMILESO=c1c(F)cn([C@H]2CCCO2)c(=O)n1CO
InChIInChI=1S/C9H11FN2O4/c10-6-4-11(7-2-1-3-16-7)9(15)12(5-13)8(6)14/h4,7,13H,1-3,5H2/t7-/m1/s1
InChIKeyJDDDDOBTZSUOHS-SSDOTTSWSA-N
XLogP-0.59
TPSA73.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.19
LogP ≤ 5-0.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-(hydroxymethyl)-1-[(2R)-oxolan-2-yl]pyrimidine-2,4-dione?
The IUPAC name of 5-fluoro-3-(hydroxymethyl)-1-[(2R)-oxolan-2-yl]pyrimidine-2,4-dione (CID 24773982) is 5-fluoro-3-(hydroxymethyl)-1-[(2R)-oxolan-2-yl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-fluoro-3-(hydroxymethyl)-1-[(2R)-oxolan-2-yl]pyrimidine-2,4-dione?
The canonical SMILES for 5-fluoro-3-(hydroxymethyl)-1-[(2R)-oxolan-2-yl]pyrimidine-2,4-dione is O=c1c(F)cn([C@H]2CCCO2)c(=O)n1CO.
What is the InChIKey of 5-fluoro-3-(hydroxymethyl)-1-[(2R)-oxolan-2-yl]pyrimidine-2,4-dione?
The InChIKey is JDDDDOBTZSUOHS-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H11FN2O4/c10-6-4-11(7-2-1-3-16-7)9(15)12(5-13)8(6)14/h4,7,13H,1-3,5H2/t7-/m1/s1.
What are the key properties of 5-fluoro-3-(hydroxymethyl)-1-[(2R)-oxolan-2-yl]pyrimidine-2,4-dione?
5-fluoro-3-(hydroxymethyl)-1-[(2R)-oxolan-2-yl]pyrimidine-2,4-dione has a molecular weight of 230.19 g/mol, XLogP of -0.59, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-(hydroxymethyl)-1-[(2R)-oxolan-2-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 24773982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).