5-fluoro-1-(oxolan-2-yl)(213C,1,3-15N2)pyrimidine-2,4-dione

C8H9FN2O3 — CID 71434333

IUPAC5-fluoro-1-(oxolan-2-yl)(213C,1,3-15N2)pyrimidine-2,4-dione
SMILESO=c1[15nH][13c](=O)[15n](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)/i8+1,10+1,11+1
InChIKeyWFWLQNSHRPWKFK-HLDOMDIUSA-N
MW203.15 g/mol
LogP-0.02
Rot. Bonds1

About 5-fluoro-1-(oxolan-2-yl)(213C,1,3-15N2)pyrimidine-2,4-dione

5-fluoro-1-(oxolan-2-yl)(213C,1,3-15N2)pyrimidine-2,4-dione (PubChem CID 71434333) has the molecular formula C8H9FN2O3 and a molecular weight of 203.15 g/mol. Its IUPAC name is 5-fluoro-1-(oxolan-2-yl)(213C,1,3-15N2)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-fluoro-1-(oxolan-2-yl)(213C,1,3-15N2)pyrimidine-2,4-dione
PubChem CID71434333
Molecular FormulaC8H9FN2O3
Molecular Weight203.15 g/mol
Exact Mass203.06
IUPAC Name5-fluoro-1-(oxolan-2-yl)(213C,1,3-15N2)pyrimidine-2,4-dione
SMILESO=c1[15nH][13c](=O)[15n](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)/i8+1,10+1,11+1
InChIKeyWFWLQNSHRPWKFK-HLDOMDIUSA-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 ≤ 500203.15
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-(oxolan-2-yl)(213C,1,3-15N2)pyrimidine-2,4-dione?
The IUPAC name of 5-fluoro-1-(oxolan-2-yl)(213C,1,3-15N2)pyrimidine-2,4-dione (CID 71434333) is 5-fluoro-1-(oxolan-2-yl)(213C,1,3-15N2)pyrimidine-2,4-dione.
What is the SMILES notation for 5-fluoro-1-(oxolan-2-yl)(213C,1,3-15N2)pyrimidine-2,4-dione?
The canonical SMILES for 5-fluoro-1-(oxolan-2-yl)(213C,1,3-15N2)pyrimidine-2,4-dione is O=c1[15nH][13c](=O)[15n](C2CCCO2)cc1F.
What is the InChIKey of 5-fluoro-1-(oxolan-2-yl)(213C,1,3-15N2)pyrimidine-2,4-dione?
The InChIKey is WFWLQNSHRPWKFK-HLDOMDIUSA-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)/i8+1,10+1,11+1.
What are the key properties of 5-fluoro-1-(oxolan-2-yl)(213C,1,3-15N2)pyrimidine-2,4-dione?
5-fluoro-1-(oxolan-2-yl)(213C,1,3-15N2)pyrimidine-2,4-dione has a molecular weight of 203.15 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)(213C,1,3-15N2)pyrimidine-2,4-dione is sourced from PubChem (CID 71434333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).