5-fluoro-2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-4-methyl-1H-pyrimidin-6-one

C15H15FN2O3 — CID 136965461

About 5-fluoro-2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-4-methyl-1H-pyrimidin-6-one

5-fluoro-2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-4-methyl-1H-pyrimidin-6-one (PubChem CID 136965461) has the molecular formula C15H15FN2O3 and a molecular weight of 290.29 g/mol. Its IUPAC name is 5-fluoro-2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

• Compound Name: 5-fluoro-2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-4-methyl-1H-pyrimidin-6-one
• PubChem CID: 136965461
• Molecular Formula: C15H15FN2O3
• Molecular Weight: 290.29 g/mol
• Exact Mass: 290.11
• IUPAC Name: 5-fluoro-2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-4-methyl-1H-pyrimidin-6-one
• SMILES: COc1cc2c(cc1-c1nc(C)c(F)c(=O)[nH]1)OC(C)C2
• InChI: InChI=1S/C15H15FN2O3/c1-7-4-9-5-12(20-3)10(6-11(9)21-7)14-17-8(2)13(16)15(19)18-14/h5-7H,4H2,1-3H3,(H,17,18,19)
• InChIKey: UBHSTRYTMYROQI-UHFFFAOYSA-N
• XLogP: 2.22
• TPSA: 64.21 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	290.29
LogP ≤ 5	2.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-4-methyl-1H-pyrimidin-6-one?

The IUPAC name of 5-fluoro-2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-4-methyl-1H-pyrimidin-6-one (CID 136965461) is 5-fluoro-2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-4-methyl-1H-pyrimidin-6-one.

What is the SMILES notation for 5-fluoro-2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-4-methyl-1H-pyrimidin-6-one?

The canonical SMILES for 5-fluoro-2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-4-methyl-1H-pyrimidin-6-one is COc1cc2c(cc1-c1nc(C)c(F)c(=O)[nH]1)OC(C)C2.

What is the InChIKey of 5-fluoro-2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-4-methyl-1H-pyrimidin-6-one?

The InChIKey is UBHSTRYTMYROQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O3/c1-7-4-9-5-12(20-3)10(6-11(9)21-7)14-17-8(2)13(16)15(19)18-14/h5-7H,4H2,1-3H3,(H,17,18,19).

What are the key properties of 5-fluoro-2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-4-methyl-1H-pyrimidin-6-one?

5-fluoro-2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-4-methyl-1H-pyrimidin-6-one has a molecular weight of 290.29 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-fluoro-2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136965461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).