3-[6-(2,3-dihydro-1-benzofuran-5-yloxy)-2-fluoropyrimidin-4-yl]-5,5-dimethylimidazolidine-2,4-dione

C17H15FN4O4 — CID 164732718

IUPAC3-[6-(2,3-dihydro-1-benzofuran-5-yloxy)-2-fluoropyrimidin-4-yl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(c2cc(Oc3ccc4c(c3)CCO4)nc(F)n2)C1=O
InChIInChI=1S/C17H15FN4O4/c1-17(2)14(23)22(16(24)21-17)12-8-13(20-15(18)19-12)26-10-3-4-11-9(7-10)5-6-25-11/h3-4,7-8H,5-6H2,1-2H3,(H,21,24)
InChIKeyIXPJJDJUEDEALO-UHFFFAOYSA-N
MW358.33 g/mol
LogP2.18
Rot. Bonds3

About 3-[6-(2,3-dihydro-1-benzofuran-5-yloxy)-2-fluoropyrimidin-4-yl]-5,5-dimethylimidazolidine-2,4-dione

3-[6-(2,3-dihydro-1-benzofuran-5-yloxy)-2-fluoropyrimidin-4-yl]-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 164732718) has the molecular formula C17H15FN4O4 and a molecular weight of 358.33 g/mol. Its IUPAC name is 3-[6-(2,3-dihydro-1-benzofuran-5-yloxy)-2-fluoropyrimidin-4-yl]-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[6-(2,3-dihydro-1-benzofuran-5-yloxy)-2-fluoropyrimidin-4-yl]-5,5-dimethylimidazolidine-2,4-dione
PubChem CID164732718
Molecular FormulaC17H15FN4O4
Molecular Weight358.33 g/mol
Exact Mass358.11
IUPAC Name3-[6-(2,3-dihydro-1-benzofuran-5-yloxy)-2-fluoropyrimidin-4-yl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(c2cc(Oc3ccc4c(c3)CCO4)nc(F)n2)C1=O
InChIInChI=1S/C17H15FN4O4/c1-17(2)14(23)22(16(24)21-17)12-8-13(20-15(18)19-12)26-10-3-4-11-9(7-10)5-6-25-11/h3-4,7-8H,5-6H2,1-2H3,(H,21,24)
InChIKeyIXPJJDJUEDEALO-UHFFFAOYSA-N
XLogP2.18
TPSA93.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.33
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[6-(2,3-dihydro-1-benzofuran-5-yloxy)-2-fluoropyrimidin-4-yl]-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 3-[6-(2,3-dihydro-1-benzofuran-5-yloxy)-2-fluoropyrimidin-4-yl]-5,5-dimethylimidazolidine-2,4-dione (CID 164732718) is 3-[6-(2,3-dihydro-1-benzofuran-5-yloxy)-2-fluoropyrimidin-4-yl]-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[6-(2,3-dihydro-1-benzofuran-5-yloxy)-2-fluoropyrimidin-4-yl]-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 3-[6-(2,3-dihydro-1-benzofuran-5-yloxy)-2-fluoropyrimidin-4-yl]-5,5-dimethylimidazolidine-2,4-dione is CC1(C)NC(=O)N(c2cc(Oc3ccc4c(c3)CCO4)nc(F)n2)C1=O.
What is the InChIKey of 3-[6-(2,3-dihydro-1-benzofuran-5-yloxy)-2-fluoropyrimidin-4-yl]-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is IXPJJDJUEDEALO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O4/c1-17(2)14(23)22(16(24)21-17)12-8-13(20-15(18)19-12)26-10-3-4-11-9(7-10)5-6-25-11/h3-4,7-8H,5-6H2,1-2H3,(H,21,24).
What are the key properties of 3-[6-(2,3-dihydro-1-benzofuran-5-yloxy)-2-fluoropyrimidin-4-yl]-5,5-dimethylimidazolidine-2,4-dione?
3-[6-(2,3-dihydro-1-benzofuran-5-yloxy)-2-fluoropyrimidin-4-yl]-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 358.33 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(2,3-dihydro-1-benzofuran-5-yloxy)-2-fluoropyrimidin-4-yl]-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 164732718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).