5-fluoro-1-phenylpyrimidine-2,4-dione

C10H7FN2O2 — CID 10488480

IUPAC5-fluoro-1-phenylpyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(-c2ccccc2)cc1F
InChIInChI=1S/C10H7FN2O2/c11-8-6-13(10(15)12-9(8)14)7-4-2-1-3-5-7/h1-6H,(H,12,14,15)
InChIKeyXYLUDFCJKISNLF-UHFFFAOYSA-N
MW206.18 g/mol
LogP0.66
Rot. Bonds1

About 5-fluoro-1-phenylpyrimidine-2,4-dione

5-fluoro-1-phenylpyrimidine-2,4-dione (PubChem CID 10488480) has the molecular formula C10H7FN2O2 and a molecular weight of 206.18 g/mol. Its IUPAC name is 5-fluoro-1-phenylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-fluoro-1-phenylpyrimidine-2,4-dione
PubChem CID10488480
Molecular FormulaC10H7FN2O2
Molecular Weight206.18 g/mol
Exact Mass206.05
IUPAC Name5-fluoro-1-phenylpyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(-c2ccccc2)cc1F
InChIInChI=1S/C10H7FN2O2/c11-8-6-13(10(15)12-9(8)14)7-4-2-1-3-5-7/h1-6H,(H,12,14,15)
InChIKeyXYLUDFCJKISNLF-UHFFFAOYSA-N
XLogP0.66
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.18
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-phenylpyrimidine-2,4-dione?
The IUPAC name of 5-fluoro-1-phenylpyrimidine-2,4-dione (CID 10488480) is 5-fluoro-1-phenylpyrimidine-2,4-dione.
What is the SMILES notation for 5-fluoro-1-phenylpyrimidine-2,4-dione?
The canonical SMILES for 5-fluoro-1-phenylpyrimidine-2,4-dione is O=c1[nH]c(=O)n(-c2ccccc2)cc1F.
What is the InChIKey of 5-fluoro-1-phenylpyrimidine-2,4-dione?
The InChIKey is XYLUDFCJKISNLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FN2O2/c11-8-6-13(10(15)12-9(8)14)7-4-2-1-3-5-7/h1-6H,(H,12,14,15).
What are the key properties of 5-fluoro-1-phenylpyrimidine-2,4-dione?
5-fluoro-1-phenylpyrimidine-2,4-dione has a molecular weight of 206.18 g/mol, XLogP of 0.66, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-phenylpyrimidine-2,4-dione is sourced from PubChem (CID 10488480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).