3-fluoro-1H-pyrimidine-2,4-dione

C4H3FN2O2 — CID 19087763

IUPAC3-fluoro-1H-pyrimidine-2,4-dione
SMILESO=c1cc[nH]c(=O)n1F
InChIInChI=1S/C4H3FN2O2/c5-7-3(8)1-2-6-4(7)9/h1-2H,(H,6,9)
InChIKeyZINXKWMTURNPGZ-UHFFFAOYSA-N
MW130.08 g/mol
LogP-0.73
Rot. Bonds

About 3-fluoro-1H-pyrimidine-2,4-dione

3-fluoro-1H-pyrimidine-2,4-dione (PubChem CID 19087763) has the molecular formula C4H3FN2O2 and a molecular weight of 130.08 g/mol. Its IUPAC name is 3-fluoro-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-fluoro-1H-pyrimidine-2,4-dione
PubChem CID19087763
Molecular FormulaC4H3FN2O2
Molecular Weight130.08 g/mol
Exact Mass130.02
IUPAC Name3-fluoro-1H-pyrimidine-2,4-dione
SMILESO=c1cc[nH]c(=O)n1F
InChIInChI=1S/C4H3FN2O2/c5-7-3(8)1-2-6-4(7)9/h1-2H,(H,6,9)
InChIKeyZINXKWMTURNPGZ-UHFFFAOYSA-N
XLogP-0.73
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.08
LogP ≤ 5-0.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1H-pyrimidine-2,4-dione?
The IUPAC name of 3-fluoro-1H-pyrimidine-2,4-dione (CID 19087763) is 3-fluoro-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-fluoro-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-fluoro-1H-pyrimidine-2,4-dione is O=c1cc[nH]c(=O)n1F.
What is the InChIKey of 3-fluoro-1H-pyrimidine-2,4-dione?
The InChIKey is ZINXKWMTURNPGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3FN2O2/c5-7-3(8)1-2-6-4(7)9/h1-2H,(H,6,9).
What are the key properties of 3-fluoro-1H-pyrimidine-2,4-dione?
3-fluoro-1H-pyrimidine-2,4-dione has a molecular weight of 130.08 g/mol, XLogP of -0.73, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 19087763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).