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

C9H11FN2O4 — CID 11564866

IUPAC5-fluoro-3-(hydroxymethyl)-1-(oxolan-2-yl)pyrimidine-2,4-dione
SMILESO=c1c(F)cn(C2CCCO2)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
InChIKeyJDDDDOBTZSUOHS-UHFFFAOYSA-N
MW230.19 g/mol
LogP-0.59
Rot. Bonds2

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

5-fluoro-3-(hydroxymethyl)-1-(oxolan-2-yl)pyrimidine-2,4-dione (PubChem CID 11564866) has the molecular formula C9H11FN2O4 and a molecular weight of 230.19 g/mol. Its IUPAC name is 5-fluoro-3-(hydroxymethyl)-1-(oxolan-2-yl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-fluoro-3-(hydroxymethyl)-1-(oxolan-2-yl)pyrimidine-2,4-dione
PubChem CID11564866
Molecular FormulaC9H11FN2O4
Molecular Weight230.19 g/mol
Exact Mass230.07
IUPAC Name5-fluoro-3-(hydroxymethyl)-1-(oxolan-2-yl)pyrimidine-2,4-dione
SMILESO=c1c(F)cn(C2CCCO2)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
InChIKeyJDDDDOBTZSUOHS-UHFFFAOYSA-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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Related Compounds

Tegafur
CID 5386
(R)-Ftorafur
CID 288216
1,3-Bis(tetrahydro-2-furanyl)-5-fluoro-2,4-pyrimidinedione
CID 124956
2,4(1H,3H)-Pyrimidinedione, 5-fluoro-3-(tetrahydro-2-furanyl)-
CID 125110
[5-Fluoro-2,6-dioxo-3-(oxolan-2-yl)pyrimidin-1-yl]methyl butanoate
CID 11666564
2-[5-Fluoro-2,6-dioxo-3-(oxolan-2-yl)-1,2,3,6-tetrahydropyrimidin-1-yl]acetic acid
CID 16226806
Tegafur, (S)-
CID 148755
5-fluoro-3-(2-hydroxyethyl)-1-[(2R)-oxolan-2-yl]pyrimidine-2,4-dione
CID 44431438
3-Fluoro-1-(oxolan-2-yl)pyrimidine-2,4-dione
CID 54351125
3-Methyl-1-(tetrahydro-2-furanyl)-5-fluorouracil
CID 13061626
3-Hydroxytegafur
CID 139593699
1-Methyl-3-(tetrahydro-2-furanyl)-5-fluorouracil
CID 101320203

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-(hydroxymethyl)-1-(oxolan-2-yl)pyrimidine-2,4-dione?
The IUPAC name of 5-fluoro-3-(hydroxymethyl)-1-(oxolan-2-yl)pyrimidine-2,4-dione (CID 11564866) is 5-fluoro-3-(hydroxymethyl)-1-(oxolan-2-yl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-fluoro-3-(hydroxymethyl)-1-(oxolan-2-yl)pyrimidine-2,4-dione?
The canonical SMILES for 5-fluoro-3-(hydroxymethyl)-1-(oxolan-2-yl)pyrimidine-2,4-dione is O=c1c(F)cn(C2CCCO2)c(=O)n1CO.
What is the InChIKey of 5-fluoro-3-(hydroxymethyl)-1-(oxolan-2-yl)pyrimidine-2,4-dione?
The InChIKey is JDDDDOBTZSUOHS-UHFFFAOYSA-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.
What are the key properties of 5-fluoro-3-(hydroxymethyl)-1-(oxolan-2-yl)pyrimidine-2,4-dione?
5-fluoro-3-(hydroxymethyl)-1-(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-(oxolan-2-yl)pyrimidine-2,4-dione is sourced from PubChem (CID 11564866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).