5-methyl-1-[5-[(6-methyl-2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxymethyl]-2,5-dihydrofuran-2-yl]pyrimidine-2,4-dione

C18H19N2O7P — CID 23277028

About 5-methyl-1-[5-[(6-methyl-2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxymethyl]-2,5-dihydrofuran-2-yl]pyrimidine-2,4-dione

5-methyl-1-[5-[(6-methyl-2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxymethyl]-2,5-dihydrofuran-2-yl]pyrimidine-2,4-dione (PubChem CID 23277028) has the molecular formula C18H19N2O7P and a molecular weight of 406.33 g/mol. Its IUPAC name is 5-methyl-1-[5-[(6-methyl-2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxymethyl]-2,5-dihydrofuran-2-yl]pyrimidine-2,4-dione.

Molecular Properties

• Compound Name: 5-methyl-1-[5-[(6-methyl-2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxymethyl]-2,5-dihydrofuran-2-yl]pyrimidine-2,4-dione
• PubChem CID: 23277028
• Molecular Formula: C18H19N2O7P
• Molecular Weight: 406.33 g/mol
• Exact Mass: 406.09
• IUPAC Name: 5-methyl-1-[5-[(6-methyl-2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxymethyl]-2,5-dihydrofuran-2-yl]pyrimidine-2,4-dione
• SMILES: Cc1ccc2c(c1)COP(=O)(OCC1C=CC(n3cc(C)c(=O)[nH]c3=O)O1)O2
• InChI: InChI=1S/C18H19N2O7P/c1-11-3-5-15-13(7-11)9-24-28(23,27-15)25-10-14-4-6-16(26-14)20-8-12(2)17(21)19-18(20)22/h3-8,14,16H,9-10H2,1-2H3,(H,19,21,22)
• InChIKey: XCQZHNHBKUHUEJ-UHFFFAOYSA-N
• XLogP: 2.34
• TPSA: 108.85 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	406.33
LogP ≤ 5	2.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[5-[(6-methyl-2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxymethyl]-2,5-dihydrofuran-2-yl]pyrimidine-2,4-dione?

The IUPAC name of 5-methyl-1-[5-[(6-methyl-2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxymethyl]-2,5-dihydrofuran-2-yl]pyrimidine-2,4-dione (CID 23277028) is 5-methyl-1-[5-[(6-methyl-2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxymethyl]-2,5-dihydrofuran-2-yl]pyrimidine-2,4-dione.

What is the SMILES notation for 5-methyl-1-[5-[(6-methyl-2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxymethyl]-2,5-dihydrofuran-2-yl]pyrimidine-2,4-dione?

The canonical SMILES for 5-methyl-1-[5-[(6-methyl-2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxymethyl]-2,5-dihydrofuran-2-yl]pyrimidine-2,4-dione is Cc1ccc2c(c1)COP(=O)(OCC1C=CC(n3cc(C)c(=O)[nH]c3=O)O1)O2.

What is the InChIKey of 5-methyl-1-[5-[(6-methyl-2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxymethyl]-2,5-dihydrofuran-2-yl]pyrimidine-2,4-dione?

The InChIKey is XCQZHNHBKUHUEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N2O7P/c1-11-3-5-15-13(7-11)9-24-28(23,27-15)25-10-14-4-6-16(26-14)20-8-12(2)17(21)19-18(20)22/h3-8,14,16H,9-10H2,1-2H3,(H,19,21,22).

What are the key properties of 5-methyl-1-[5-[(6-methyl-2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxymethyl]-2,5-dihydrofuran-2-yl]pyrimidine-2,4-dione?

5-methyl-1-[5-[(6-methyl-2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxymethyl]-2,5-dihydrofuran-2-yl]pyrimidine-2,4-dione has a molecular weight of 406.33 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methyl-1-[5-[(6-methyl-2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxymethyl]-2,5-dihydrofuran-2-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 23277028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).