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

C8H9FN2O3 — CID 5386

💊View drug profile → tegafur
IUPAC5-fluoro-1-(oxolan-2-yl)pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(C2CCCO2)cc1F
InChIInChI=1S/C8H9FN2O3/c9-5-4-11(6-2-1-3-14-6)8(13)10-7(5)12/h4,6H,1-3H2,(H,10,12,13)
InChIKeyWFWLQNSHRPWKFK-UHFFFAOYSA-N
MW200.17 g/mol
LogP-0.02
Rot. Bonds1

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

5-fluoro-1-(oxolan-2-yl)pyrimidine-2,4-dione (PubChem CID 5386) has the molecular formula C8H9FN2O3 and a molecular weight of 200.17 g/mol. Its IUPAC name is 5-fluoro-1-(oxolan-2-yl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-fluoro-1-(oxolan-2-yl)pyrimidine-2,4-dione
PubChem CID5386
Molecular FormulaC8H9FN2O3
Molecular Weight200.17 g/mol
Exact Mass200.06
IUPAC Name5-fluoro-1-(oxolan-2-yl)pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(C2CCCO2)cc1F
InChIInChI=1S/C8H9FN2O3/c9-5-4-11(6-2-1-3-14-6)8(13)10-7(5)12/h4,6H,1-3H2,(H,10,12,13)
InChIKeyWFWLQNSHRPWKFK-UHFFFAOYSA-N
XLogP-0.02
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.17
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Tegafur-Uracil
CID 104747
(R)-Ftorafur
CID 288216
Stk771272
CID 4015329
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
Hydroxymethyl tegafur
CID 11564866
Stk593046
CID 2982085
Tetrahydrofuryluracil
CID 267369
Tegafur, (S)-
CID 148755
Tetrahydrofuranylthymine
CID 267376
1-(1-Butoxy-ethyl)-5-fluoro-1H-pyrimidine-2,4-dione
CID 2883397
5-fluoro-1-[(2R)-5-methyloxolan-2-yl]pyrimidine-2,4-dione
CID 44381712

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-(oxolan-2-yl)pyrimidine-2,4-dione?
The IUPAC name of 5-fluoro-1-(oxolan-2-yl)pyrimidine-2,4-dione (CID 5386) is 5-fluoro-1-(oxolan-2-yl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-fluoro-1-(oxolan-2-yl)pyrimidine-2,4-dione?
The canonical SMILES for 5-fluoro-1-(oxolan-2-yl)pyrimidine-2,4-dione is O=c1[nH]c(=O)n(C2CCCO2)cc1F.
What is the InChIKey of 5-fluoro-1-(oxolan-2-yl)pyrimidine-2,4-dione?
The InChIKey is WFWLQNSHRPWKFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN2O3/c9-5-4-11(6-2-1-3-14-6)8(13)10-7(5)12/h4,6H,1-3H2,(H,10,12,13).
What are the key properties of 5-fluoro-1-(oxolan-2-yl)pyrimidine-2,4-dione?
5-fluoro-1-(oxolan-2-yl)pyrimidine-2,4-dione has a molecular weight of 200.17 g/mol, XLogP of -0.02, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-(oxolan-2-yl)pyrimidine-2,4-dione is sourced from PubChem (CID 5386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).