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

C8H7FN2O3 — CID 87268949

IUPAC3-fluoro-1H-pyrimidine-2,4-dione;furan
SMILESO=c1cc[nH]c(=O)n1F.c1ccoc1
InChIInChI=1S/C4H3FN2O2.C4H4O/c5-7-3(8)1-2-6-4(7)9;1-2-4-5-3-1/h1-2H,(H,6,9);1-4H
InChIKeyBUWARDAPWQWYCJ-UHFFFAOYSA-N
MW198.15 g/mol
LogP0.55
Rot. Bonds

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

3-fluoro-1H-pyrimidine-2,4-dione;furan (PubChem CID 87268949) has the molecular formula C8H7FN2O3 and a molecular weight of 198.15 g/mol. Its IUPAC name is 3-fluoro-1H-pyrimidine-2,4-dione;furan.

Molecular Properties

Compound Name3-fluoro-1H-pyrimidine-2,4-dione;furan
PubChem CID87268949
Molecular FormulaC8H7FN2O3
Molecular Weight198.15 g/mol
Exact Mass198.04
IUPAC Name3-fluoro-1H-pyrimidine-2,4-dione;furan
SMILESO=c1cc[nH]c(=O)n1F.c1ccoc1
InChIInChI=1S/C4H3FN2O2.C4H4O/c5-7-3(8)1-2-6-4(7)9;1-2-4-5-3-1/h1-2H,(H,6,9);1-4H
InChIKeyBUWARDAPWQWYCJ-UHFFFAOYSA-N
XLogP0.55
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.15
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1H-pyrimidine-2,4-dione;furan?
The IUPAC name of 3-fluoro-1H-pyrimidine-2,4-dione;furan (CID 87268949) is 3-fluoro-1H-pyrimidine-2,4-dione;furan.
What is the SMILES notation for 3-fluoro-1H-pyrimidine-2,4-dione;furan?
The canonical SMILES for 3-fluoro-1H-pyrimidine-2,4-dione;furan is O=c1cc[nH]c(=O)n1F.c1ccoc1.
What is the InChIKey of 3-fluoro-1H-pyrimidine-2,4-dione;furan?
The InChIKey is BUWARDAPWQWYCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3FN2O2.C4H4O/c5-7-3(8)1-2-6-4(7)9;1-2-4-5-3-1/h1-2H,(H,6,9);1-4H.
What are the key properties of 3-fluoro-1H-pyrimidine-2,4-dione;furan?
3-fluoro-1H-pyrimidine-2,4-dione;furan has a molecular weight of 198.15 g/mol, XLogP of 0.55, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1H-pyrimidine-2,4-dione;furan is sourced from PubChem (CID 87268949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).