6-chloro-3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-methylpyrimidin-4-one

C15H15ClN2O2 — CID 114581740

IUPAC6-chloro-3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-methylpyrimidin-4-one
SMILESCc1nc(Cl)cc(=O)n1CCc1ccc2c(c1)CCO2
InChIInChI=1S/C15H15ClN2O2/c1-10-17-14(16)9-15(19)18(10)6-4-11-2-3-13-12(8-11)5-7-20-13/h2-3,8-9H,4-7H2,1H3
InChIKeyABEDMBQFJKRIOO-UHFFFAOYSA-N
MW290.75 g/mol
LogP2.38
Rot. Bonds3

About 6-chloro-3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-methylpyrimidin-4-one

6-chloro-3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-methylpyrimidin-4-one (PubChem CID 114581740) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is 6-chloro-3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-methylpyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-methylpyrimidin-4-one
PubChem CID114581740
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC Name6-chloro-3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-methylpyrimidin-4-one
SMILESCc1nc(Cl)cc(=O)n1CCc1ccc2c(c1)CCO2
InChIInChI=1S/C15H15ClN2O2/c1-10-17-14(16)9-15(19)18(10)6-4-11-2-3-13-12(8-11)5-7-20-13/h2-3,8-9H,4-7H2,1H3
InChIKeyABEDMBQFJKRIOO-UHFFFAOYSA-N
XLogP2.38
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-5,6-dimethylpyrimidin-4-one
CID 146130232
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-6-(hydroxymethyl)pyridin-2-one
CID 167822879
6-chloro-2-methyl-3-(2-thiophen-3-ylethyl)pyrimidin-4-one
CID 114581948
5-bromo-3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-6-methylpyrimidin-4-one
CID 66311095
6-chloro-3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-5-methoxypyrimidin-4-one
CID 114585245
5-chloro-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyrimidine-2,4-dione
CID 66424176
3-chloro-4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5-methyl-1,2,4-triazole
CID 55183116
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-iodo-4-methylpyrazole
CID 79787089
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-4-methylindole
CID 116620301
5-(chloromethyl)-2,3-dihydro-1-benzofuran
CID 11789614
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperazine-2,5-dione
CID 65442473
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]triazole-4-carboxamide
CID 146136216

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-methylpyrimidin-4-one?
The IUPAC name of 6-chloro-3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-methylpyrimidin-4-one (CID 114581740) is 6-chloro-3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-methylpyrimidin-4-one.
What is the SMILES notation for 6-chloro-3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-methylpyrimidin-4-one?
The canonical SMILES for 6-chloro-3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-methylpyrimidin-4-one is Cc1nc(Cl)cc(=O)n1CCc1ccc2c(c1)CCO2.
What is the InChIKey of 6-chloro-3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-methylpyrimidin-4-one?
The InChIKey is ABEDMBQFJKRIOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c1-10-17-14(16)9-15(19)18(10)6-4-11-2-3-13-12(8-11)5-7-20-13/h2-3,8-9H,4-7H2,1H3.
What are the key properties of 6-chloro-3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-methylpyrimidin-4-one?
6-chloro-3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-methylpyrimidin-4-one has a molecular weight of 290.75 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-methylpyrimidin-4-one is sourced from PubChem (CID 114581740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).