2,3-dihydro-1-benzofuran-7-yl-(6-methoxypyrimidin-4-yl)methanone

C14H12N2O3 — CID 102950163

IUPAC2,3-dihydro-1-benzofuran-7-yl-(6-methoxypyrimidin-4-yl)methanone
SMILESCOc1cc(C(=O)c2cccc3c2OCC3)ncn1
InChIInChI=1S/C14H12N2O3/c1-18-12-7-11(15-8-16-12)13(17)10-4-2-3-9-5-6-19-14(9)10/h2-4,7-8H,5-6H2,1H3
InChIKeyRUTTYFJTSODJNT-UHFFFAOYSA-N
MW256.26 g/mol
LogP1.65
Rot. Bonds3

About 2,3-dihydro-1-benzofuran-7-yl-(6-methoxypyrimidin-4-yl)methanone

2,3-dihydro-1-benzofuran-7-yl-(6-methoxypyrimidin-4-yl)methanone (PubChem CID 102950163) has the molecular formula C14H12N2O3 and a molecular weight of 256.26 g/mol. Its IUPAC name is 2,3-dihydro-1-benzofuran-7-yl-(6-methoxypyrimidin-4-yl)methanone.

Molecular Properties

Compound Name2,3-dihydro-1-benzofuran-7-yl-(6-methoxypyrimidin-4-yl)methanone
PubChem CID102950163
Molecular FormulaC14H12N2O3
Molecular Weight256.26 g/mol
Exact Mass256.08
IUPAC Name2,3-dihydro-1-benzofuran-7-yl-(6-methoxypyrimidin-4-yl)methanone
SMILESCOc1cc(C(=O)c2cccc3c2OCC3)ncn1
InChIInChI=1S/C14H12N2O3/c1-18-12-7-11(15-8-16-12)13(17)10-4-2-3-9-5-6-19-14(9)10/h2-4,7-8H,5-6H2,1H3
InChIKeyRUTTYFJTSODJNT-UHFFFAOYSA-N
XLogP1.65
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2,3-dihydro-1-benzofuran-7-yl-(6-methoxypyrimidin-4-yl)methanone with MolForge

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

Launch Full Analysis

Related Compounds

3,4-dihydro-2H-chromen-8-yl-(6-methoxypyridazin-3-yl)methanone
CID 103373276
2,3-dihydro-1-benzofuran-7-yl-(3-methoxy-4-methylphenyl)methanone
CID 115814389
2,3-dihydro-1-benzofuran-7-yl-(4-fluoro-3-methoxyphenyl)methanone
CID 115814405
2,3-dihydro-1-benzofuran-7-yl-(2,5-dimethoxyphenyl)methanone
CID 115814359
1-(2,3-dihydro-1-benzofuran-7-yl)-2-(6-methoxy-3-pyridinyl)ethanone
CID 114744280
2,3-dihydro-1-benzofuran-7-yl-(5-methyl-3-pyridinyl)methanone
CID 105135078
3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(6-methoxypyrimidin-4-yl)methanone
CID 102950039
2,3-dihydro-1-benzofuran-7-yl-(2,6-dimethylphenyl)methanone
CID 114026900
2,3-dihydro-1-benzofuran-7-yl-(3-methyl-2-pyridinyl)methanone
CID 114744044
2,3-dihydro-1-benzofuran-7-carboxylic acid;hydrochloride
CID 70040488
(4-tert-butylphenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone
CID 115814188
2,3-dihydro-1-benzofuran-7-yl-(5-methylthiophen-2-yl)methanone
CID 115814343

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1-benzofuran-7-yl-(6-methoxypyrimidin-4-yl)methanone?
The IUPAC name of 2,3-dihydro-1-benzofuran-7-yl-(6-methoxypyrimidin-4-yl)methanone (CID 102950163) is 2,3-dihydro-1-benzofuran-7-yl-(6-methoxypyrimidin-4-yl)methanone.
What is the SMILES notation for 2,3-dihydro-1-benzofuran-7-yl-(6-methoxypyrimidin-4-yl)methanone?
The canonical SMILES for 2,3-dihydro-1-benzofuran-7-yl-(6-methoxypyrimidin-4-yl)methanone is COc1cc(C(=O)c2cccc3c2OCC3)ncn1.
What is the InChIKey of 2,3-dihydro-1-benzofuran-7-yl-(6-methoxypyrimidin-4-yl)methanone?
The InChIKey is RUTTYFJTSODJNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3/c1-18-12-7-11(15-8-16-12)13(17)10-4-2-3-9-5-6-19-14(9)10/h2-4,7-8H,5-6H2,1H3.
What are the key properties of 2,3-dihydro-1-benzofuran-7-yl-(6-methoxypyrimidin-4-yl)methanone?
2,3-dihydro-1-benzofuran-7-yl-(6-methoxypyrimidin-4-yl)methanone has a molecular weight of 256.26 g/mol, XLogP of 1.65, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1-benzofuran-7-yl-(6-methoxypyrimidin-4-yl)methanone is sourced from PubChem (CID 102950163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).