5-fluoro-1H-pyrimidine-2,4-dione;furan

C8H7FN2O3 — CID 67100299

IUPAC5-fluoro-1H-pyrimidine-2,4-dione;furan
SMILESO=c1[nH]cc(F)c(=O)[nH]1.c1ccoc1
InChIInChI=1S/C4H3FN2O2.C4H4O/c5-2-1-6-4(9)7-3(2)8;1-2-4-5-3-1/h1H,(H2,6,7,8,9);1-4H
InChIKeyUPZLQZJZQSYUNH-UHFFFAOYSA-N
MW198.15 g/mol
LogP0.48
Rot. Bonds

About 5-fluoro-1H-pyrimidine-2,4-dione;furan

5-fluoro-1H-pyrimidine-2,4-dione;furan (PubChem CID 67100299) has the molecular formula C8H7FN2O3 and a molecular weight of 198.15 g/mol. Its IUPAC name is 5-fluoro-1H-pyrimidine-2,4-dione;furan.

Molecular Properties

Compound Name5-fluoro-1H-pyrimidine-2,4-dione;furan
PubChem CID67100299
Molecular FormulaC8H7FN2O3
Molecular Weight198.15 g/mol
Exact Mass198.04
IUPAC Name5-fluoro-1H-pyrimidine-2,4-dione;furan
SMILESO=c1[nH]cc(F)c(=O)[nH]1.c1ccoc1
InChIInChI=1S/C4H3FN2O2.C4H4O/c5-2-1-6-4(9)7-3(2)8;1-2-4-5-3-1/h1H,(H2,6,7,8,9);1-4H
InChIKeyUPZLQZJZQSYUNH-UHFFFAOYSA-N
XLogP0.48
TPSA78.86 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.15
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-fluoro-1H-pyrimidine-2,4-dione;furan with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1H-pyrimidine-2,4-dione;furan?
The IUPAC name of 5-fluoro-1H-pyrimidine-2,4-dione;furan (CID 67100299) is 5-fluoro-1H-pyrimidine-2,4-dione;furan.
What is the SMILES notation for 5-fluoro-1H-pyrimidine-2,4-dione;furan?
The canonical SMILES for 5-fluoro-1H-pyrimidine-2,4-dione;furan is O=c1[nH]cc(F)c(=O)[nH]1.c1ccoc1.
What is the InChIKey of 5-fluoro-1H-pyrimidine-2,4-dione;furan?
The InChIKey is UPZLQZJZQSYUNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3FN2O2.C4H4O/c5-2-1-6-4(9)7-3(2)8;1-2-4-5-3-1/h1H,(H2,6,7,8,9);1-4H.
What are the key properties of 5-fluoro-1H-pyrimidine-2,4-dione;furan?
5-fluoro-1H-pyrimidine-2,4-dione;furan has a molecular weight of 198.15 g/mol, XLogP of 0.48, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1H-pyrimidine-2,4-dione;furan is sourced from PubChem (CID 67100299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).