5-fluoro-3-(furan-2-yl)-6-(3-iodoprop-2-ynyl)-1H-pyrimidine-2,4-dione

C11H6FIN2O3 — CID 131723108

IUPAC5-fluoro-3-(furan-2-yl)-6-(3-iodoprop-2-ynyl)-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]c(CC#CI)c(F)c(=O)n1-c1ccco1
InChIInChI=1S/C11H6FIN2O3/c12-9-7(3-1-5-13)14-11(17)15(10(9)16)8-4-2-6-18-8/h2,4,6H,3H2,(H,14,17)
InChIKeyRRBOGNPAEYCUNR-UHFFFAOYSA-N
MW360.08 g/mol
LogP1.20
Rot. Bonds2

About 5-fluoro-3-(furan-2-yl)-6-(3-iodoprop-2-ynyl)-1H-pyrimidine-2,4-dione

5-fluoro-3-(furan-2-yl)-6-(3-iodoprop-2-ynyl)-1H-pyrimidine-2,4-dione (PubChem CID 131723108) has the molecular formula C11H6FIN2O3 and a molecular weight of 360.08 g/mol. Its IUPAC name is 5-fluoro-3-(furan-2-yl)-6-(3-iodoprop-2-ynyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-fluoro-3-(furan-2-yl)-6-(3-iodoprop-2-ynyl)-1H-pyrimidine-2,4-dione
PubChem CID131723108
Molecular FormulaC11H6FIN2O3
Molecular Weight360.08 g/mol
Exact Mass359.94
IUPAC Name5-fluoro-3-(furan-2-yl)-6-(3-iodoprop-2-ynyl)-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]c(CC#CI)c(F)c(=O)n1-c1ccco1
InChIInChI=1S/C11H6FIN2O3/c12-9-7(3-1-5-13)14-11(17)15(10(9)16)8-4-2-6-18-8/h2,4,6H,3H2,(H,14,17)
InChIKeyRRBOGNPAEYCUNR-UHFFFAOYSA-N
XLogP1.20
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.08
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-(furan-2-yl)-6-(3-iodoprop-2-ynyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-fluoro-3-(furan-2-yl)-6-(3-iodoprop-2-ynyl)-1H-pyrimidine-2,4-dione (CID 131723108) is 5-fluoro-3-(furan-2-yl)-6-(3-iodoprop-2-ynyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-fluoro-3-(furan-2-yl)-6-(3-iodoprop-2-ynyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-fluoro-3-(furan-2-yl)-6-(3-iodoprop-2-ynyl)-1H-pyrimidine-2,4-dione is O=c1[nH]c(CC#CI)c(F)c(=O)n1-c1ccco1.
What is the InChIKey of 5-fluoro-3-(furan-2-yl)-6-(3-iodoprop-2-ynyl)-1H-pyrimidine-2,4-dione?
The InChIKey is RRBOGNPAEYCUNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6FIN2O3/c12-9-7(3-1-5-13)14-11(17)15(10(9)16)8-4-2-6-18-8/h2,4,6H,3H2,(H,14,17).
What are the key properties of 5-fluoro-3-(furan-2-yl)-6-(3-iodoprop-2-ynyl)-1H-pyrimidine-2,4-dione?
5-fluoro-3-(furan-2-yl)-6-(3-iodoprop-2-ynyl)-1H-pyrimidine-2,4-dione has a molecular weight of 360.08 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-(furan-2-yl)-6-(3-iodoprop-2-ynyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 131723108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).