1-ethyl-3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrimidine-2,4-dione

C16H18N2O3 — CID 66392540

About 1-ethyl-3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrimidine-2,4-dione

1-ethyl-3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrimidine-2,4-dione (PubChem CID 66392540) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 1-ethyl-3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrimidine-2,4-dione.

Molecular Properties

• Compound Name: 1-ethyl-3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrimidine-2,4-dione
• PubChem CID: 66392540
• Molecular Formula: C16H18N2O3
• Molecular Weight: 286.33 g/mol
• Exact Mass: 286.13
• IUPAC Name: 1-ethyl-3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrimidine-2,4-dione
• SMILES: CCn1ccc(=O)n(CC2Cc3cc(C)ccc3O2)c1=O
• InChI: InChI=1S/C16H18N2O3/c1-3-17-7-6-15(19)18(16(17)20)10-13-9-12-8-11(2)4-5-14(12)21-13/h4-8,13H,3,9-10H2,1-2H3
• InChIKey: KHWVMXVLFGSTHJ-UHFFFAOYSA-N
• XLogP: 1.34
• TPSA: 53.23 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	286.33
LogP ≤ 5	1.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrimidine-2,4-dione?

The IUPAC name of 1-ethyl-3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrimidine-2,4-dione (CID 66392540) is 1-ethyl-3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrimidine-2,4-dione.

What is the SMILES notation for 1-ethyl-3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrimidine-2,4-dione?

The canonical SMILES for 1-ethyl-3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrimidine-2,4-dione is CCn1ccc(=O)n(CC2Cc3cc(C)ccc3O2)c1=O.

What is the InChIKey of 1-ethyl-3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrimidine-2,4-dione?

The InChIKey is KHWVMXVLFGSTHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-3-17-7-6-15(19)18(16(17)20)10-13-9-12-8-11(2)4-5-14(12)21-13/h4-8,13H,3,9-10H2,1-2H3.

What are the key properties of 1-ethyl-3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrimidine-2,4-dione?

1-ethyl-3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrimidine-2,4-dione has a molecular weight of 286.33 g/mol, XLogP of 1.34, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-ethyl-3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 66392540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).