5-[5-(2-amino-6-oxo-1H-pyrimidin-4-yl)-1-benzofuran-2-yl]-5-[[4-(1-fluoro-2-methoxyprop-1-enyl)-3-methyl-5-oxo-2H-pyrrol-1-yl]methyl]imidazolidine-2,4-dione

C25H23FN6O6 — CID 136652851

About 5-[5-(2-amino-6-oxo-1H-pyrimidin-4-yl)-1-benzofuran-2-yl]-5-[[4-(1-fluoro-2-methoxyprop-1-enyl)-3-methyl-5-oxo-2H-pyrrol-1-yl]methyl]imidazolidine-2,4-dione

5-[5-(2-amino-6-oxo-1H-pyrimidin-4-yl)-1-benzofuran-2-yl]-5-[[4-(1-fluoro-2-methoxyprop-1-enyl)-3-methyl-5-oxo-2H-pyrrol-1-yl]methyl]imidazolidine-2,4-dione (PubChem CID 136652851) has the molecular formula C25H23FN6O6 and a molecular weight of 522.49 g/mol. Its IUPAC name is 5-[5-(2-amino-6-oxo-1H-pyrimidin-4-yl)-1-benzofuran-2-yl]-5-[[4-(1-fluoro-2-methoxyprop-1-enyl)-3-methyl-5-oxo-2H-pyrrol-1-yl]methyl]imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: 5-[5-(2-amino-6-oxo-1H-pyrimidin-4-yl)-1-benzofuran-2-yl]-5-[[4-(1-fluoro-2-methoxyprop-1-enyl)-3-methyl-5-oxo-2H-pyrrol-1-yl]methyl]imidazolidine-2,4-dione
• PubChem CID: 136652851
• Molecular Formula: C25H23FN6O6
• Molecular Weight: 522.49 g/mol
• Exact Mass: 522.17
• IUPAC Name: 5-[5-(2-amino-6-oxo-1H-pyrimidin-4-yl)-1-benzofuran-2-yl]-5-[[4-(1-fluoro-2-methoxyprop-1-enyl)-3-methyl-5-oxo-2H-pyrrol-1-yl]methyl]imidazolidine-2,4-dione
• SMILES: COC(C)=C(F)C1=C(C)CN(CC2(c3cc4cc(-c5cc(=O)[nH]c(N)n5)ccc4o3)NC(=O)NC2=O)C1=O
• InChI: InChI=1S/C25H23FN6O6/c1-11-9-32(21(34)19(11)20(26)12(2)37-3)10-25(22(35)30-24(36)31-25)17-7-14-6-13(4-5-16(14)38-17)15-8-18(33)29-23(27)28-15/h4-8H,9-10H2,1-3H3,(H3,27,28,29,33)(H2,30,31,35,36)
• InChIKey: SJNOIBQVNUNEKF-UHFFFAOYSA-N
• XLogP: 1.81
• TPSA: 172.65 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	522.49
LogP ≤ 5	1.81
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[5-(2-amino-6-oxo-1H-pyrimidin-4-yl)-1-benzofuran-2-yl]-5-[[4-(1-fluoro-2-methoxyprop-1-enyl)-3-methyl-5-oxo-2H-pyrrol-1-yl]methyl]imidazolidine-2,4-dione?

The IUPAC name of 5-[5-(2-amino-6-oxo-1H-pyrimidin-4-yl)-1-benzofuran-2-yl]-5-[[4-(1-fluoro-2-methoxyprop-1-enyl)-3-methyl-5-oxo-2H-pyrrol-1-yl]methyl]imidazolidine-2,4-dione (CID 136652851) is 5-[5-(2-amino-6-oxo-1H-pyrimidin-4-yl)-1-benzofuran-2-yl]-5-[[4-(1-fluoro-2-methoxyprop-1-enyl)-3-methyl-5-oxo-2H-pyrrol-1-yl]methyl]imidazolidine-2,4-dione.

What is the SMILES notation for 5-[5-(2-amino-6-oxo-1H-pyrimidin-4-yl)-1-benzofuran-2-yl]-5-[[4-(1-fluoro-2-methoxyprop-1-enyl)-3-methyl-5-oxo-2H-pyrrol-1-yl]methyl]imidazolidine-2,4-dione?

The canonical SMILES for 5-[5-(2-amino-6-oxo-1H-pyrimidin-4-yl)-1-benzofuran-2-yl]-5-[[4-(1-fluoro-2-methoxyprop-1-enyl)-3-methyl-5-oxo-2H-pyrrol-1-yl]methyl]imidazolidine-2,4-dione is COC(C)=C(F)C1=C(C)CN(CC2(c3cc4cc(-c5cc(=O)[nH]c(N)n5)ccc4o3)NC(=O)NC2=O)C1=O.

What is the InChIKey of 5-[5-(2-amino-6-oxo-1H-pyrimidin-4-yl)-1-benzofuran-2-yl]-5-[[4-(1-fluoro-2-methoxyprop-1-enyl)-3-methyl-5-oxo-2H-pyrrol-1-yl]methyl]imidazolidine-2,4-dione?

The InChIKey is SJNOIBQVNUNEKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN6O6/c1-11-9-32(21(34)19(11)20(26)12(2)37-3)10-25(22(35)30-24(36)31-25)17-7-14-6-13(4-5-16(14)38-17)15-8-18(33)29-23(27)28-15/h4-8H,9-10H2,1-3H3,(H3,27,28,29,33)(H2,30,31,35,36).

What are the key properties of 5-[5-(2-amino-6-oxo-1H-pyrimidin-4-yl)-1-benzofuran-2-yl]-5-[[4-(1-fluoro-2-methoxyprop-1-enyl)-3-methyl-5-oxo-2H-pyrrol-1-yl]methyl]imidazolidine-2,4-dione?

5-[5-(2-amino-6-oxo-1H-pyrimidin-4-yl)-1-benzofuran-2-yl]-5-[[4-(1-fluoro-2-methoxyprop-1-enyl)-3-methyl-5-oxo-2H-pyrrol-1-yl]methyl]imidazolidine-2,4-dione has a molecular weight of 522.49 g/mol, XLogP of 1.81, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[5-(2-amino-6-oxo-1H-pyrimidin-4-yl)-1-benzofuran-2-yl]-5-[[4-(1-fluoro-2-methoxyprop-1-enyl)-3-methyl-5-oxo-2H-pyrrol-1-yl]methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 136652851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).