4-(2,3-dihydro-1-benzofuran-7-yl)-2-ethyl-1H-pyrimidin-6-one

C14H14N2O2 — CID 136955750

IUPAC4-(2,3-dihydro-1-benzofuran-7-yl)-2-ethyl-1H-pyrimidin-6-one
SMILESCCc1nc(-c2cccc3c2OCC3)cc(=O)[nH]1
InChIInChI=1S/C14H14N2O2/c1-2-12-15-11(8-13(17)16-12)10-5-3-4-9-6-7-18-14(9)10/h3-5,8H,2,6-7H2,1H3,(H,15,16,17)
InChIKeyGZGZMHUPHVNGNA-UHFFFAOYSA-N
MW242.28 g/mol
LogP1.93
Rot. Bonds2

About 4-(2,3-dihydro-1-benzofuran-7-yl)-2-ethyl-1H-pyrimidin-6-one

4-(2,3-dihydro-1-benzofuran-7-yl)-2-ethyl-1H-pyrimidin-6-one (PubChem CID 136955750) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 4-(2,3-dihydro-1-benzofuran-7-yl)-2-ethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2,3-dihydro-1-benzofuran-7-yl)-2-ethyl-1H-pyrimidin-6-one
PubChem CID136955750
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name4-(2,3-dihydro-1-benzofuran-7-yl)-2-ethyl-1H-pyrimidin-6-one
SMILESCCc1nc(-c2cccc3c2OCC3)cc(=O)[nH]1
InChIInChI=1S/C14H14N2O2/c1-2-12-15-11(8-13(17)16-12)10-5-3-4-9-6-7-18-14(9)10/h3-5,8H,2,6-7H2,1H3,(H,15,16,17)
InChIKeyGZGZMHUPHVNGNA-UHFFFAOYSA-N
XLogP1.93
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(2,3-dihydro-1-benzofuran-7-yl)-2-ethyl-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1-benzofuran-7-yl)-2-ethyl-1H-pyrimidin-6-one?
The IUPAC name of 4-(2,3-dihydro-1-benzofuran-7-yl)-2-ethyl-1H-pyrimidin-6-one (CID 136955750) is 4-(2,3-dihydro-1-benzofuran-7-yl)-2-ethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2,3-dihydro-1-benzofuran-7-yl)-2-ethyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2,3-dihydro-1-benzofuran-7-yl)-2-ethyl-1H-pyrimidin-6-one is CCc1nc(-c2cccc3c2OCC3)cc(=O)[nH]1.
What is the InChIKey of 4-(2,3-dihydro-1-benzofuran-7-yl)-2-ethyl-1H-pyrimidin-6-one?
The InChIKey is GZGZMHUPHVNGNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-2-12-15-11(8-13(17)16-12)10-5-3-4-9-6-7-18-14(9)10/h3-5,8H,2,6-7H2,1H3,(H,15,16,17).
What are the key properties of 4-(2,3-dihydro-1-benzofuran-7-yl)-2-ethyl-1H-pyrimidin-6-one?
4-(2,3-dihydro-1-benzofuran-7-yl)-2-ethyl-1H-pyrimidin-6-one has a molecular weight of 242.28 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1-benzofuran-7-yl)-2-ethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136955750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).