1-fluoropyrimidine-2,4-dione

C4H3FN2O2 — CID 14907381

IUPAC1-fluoropyrimidine-2,4-dione
SMILESO=c1ccn(F)c(=O)[nH]1
InChIInChI=1S/C4H3FN2O2/c5-7-2-1-3(8)6-4(7)9/h1-2H,(H,6,8,9)
InChIKeySNKDCTFPQUHAPR-UHFFFAOYSA-N
MW130.08 g/mol
LogP-0.73
Rot. Bonds

About 1-fluoropyrimidine-2,4-dione

1-fluoropyrimidine-2,4-dione (PubChem CID 14907381) has the molecular formula C4H3FN2O2 and a molecular weight of 130.08 g/mol. Its IUPAC name is 1-fluoropyrimidine-2,4-dione.

Molecular Properties

Compound Name1-fluoropyrimidine-2,4-dione
PubChem CID14907381
Molecular FormulaC4H3FN2O2
Molecular Weight130.08 g/mol
Exact Mass130.02
IUPAC Name1-fluoropyrimidine-2,4-dione
SMILESO=c1ccn(F)c(=O)[nH]1
InChIInChI=1S/C4H3FN2O2/c5-7-2-1-3(8)6-4(7)9/h1-2H,(H,6,8,9)
InChIKeySNKDCTFPQUHAPR-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 1-fluoropyrimidine-2,4-dione?
The IUPAC name of 1-fluoropyrimidine-2,4-dione (CID 14907381) is 1-fluoropyrimidine-2,4-dione.
What is the SMILES notation for 1-fluoropyrimidine-2,4-dione?
The canonical SMILES for 1-fluoropyrimidine-2,4-dione is O=c1ccn(F)c(=O)[nH]1.
What is the InChIKey of 1-fluoropyrimidine-2,4-dione?
The InChIKey is SNKDCTFPQUHAPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3FN2O2/c5-7-2-1-3(8)6-4(7)9/h1-2H,(H,6,8,9).
What are the key properties of 1-fluoropyrimidine-2,4-dione?
1-fluoropyrimidine-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 1-fluoropyrimidine-2,4-dione is sourced from PubChem (CID 14907381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).