4-(7-chloro-1-benzofuran-2-yl)-5-ethyl-1H-pyrimidin-6-one

C14H11ClN2O2 — CID 136770221

IUPAC4-(7-chloro-1-benzofuran-2-yl)-5-ethyl-1H-pyrimidin-6-one
SMILESCCc1c(-c2cc3cccc(Cl)c3o2)nc[nH]c1=O
InChIInChI=1S/C14H11ClN2O2/c1-2-9-12(16-7-17-14(9)18)11-6-8-4-3-5-10(15)13(8)19-11/h3-7H,2H2,1H3,(H,16,17,18)
InChIKeyCPYAKLZAJGVHBH-UHFFFAOYSA-N
MW274.71 g/mol
LogP3.40
Rot. Bonds2

About 4-(7-chloro-1-benzofuran-2-yl)-5-ethyl-1H-pyrimidin-6-one

4-(7-chloro-1-benzofuran-2-yl)-5-ethyl-1H-pyrimidin-6-one (PubChem CID 136770221) has the molecular formula C14H11ClN2O2 and a molecular weight of 274.71 g/mol. Its IUPAC name is 4-(7-chloro-1-benzofuran-2-yl)-5-ethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(7-chloro-1-benzofuran-2-yl)-5-ethyl-1H-pyrimidin-6-one
PubChem CID136770221
Molecular FormulaC14H11ClN2O2
Molecular Weight274.71 g/mol
Exact Mass274.05
IUPAC Name4-(7-chloro-1-benzofuran-2-yl)-5-ethyl-1H-pyrimidin-6-one
SMILESCCc1c(-c2cc3cccc(Cl)c3o2)nc[nH]c1=O
InChIInChI=1S/C14H11ClN2O2/c1-2-9-12(16-7-17-14(9)18)11-6-8-4-3-5-10(15)13(8)19-11/h3-7H,2H2,1H3,(H,16,17,18)
InChIKeyCPYAKLZAJGVHBH-UHFFFAOYSA-N
XLogP3.40
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.71
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(7-chloro-1-benzofuran-2-yl)-5-methyl-1H-pyrimidin-6-one
CID 136770216
6-(7-chloro-1-benzofuran-2-yl)-1H-pyrimidin-2-one
CID 106521970
4-(7-chloro-1-benzofuran-2-yl)-2-cyclopropyl-5-methyl-1H-pyrimidin-6-one
CID 136770228
5-chloro-4-(7-chloro-1-benzofuran-2-yl)pyrimidine
CID 105371641
4-(4-chloro-3-methoxyphenyl)-5-ethyl-1H-pyrimidin-6-one
CID 136769434
4-(2,5-dimethylphenyl)-5-ethyl-1H-pyrimidin-6-one
CID 136955513
2-chloro-4-(7-chloro-1-benzofuran-2-yl)-5-fluoropyrimidine
CID 114734336
4-(7-chloro-1-benzofuran-2-yl)-5-fluoro-N-propylpyrimidin-2-amine
CID 114735047
4-chloro-6-(7-fluoro-1-benzofuran-2-yl)-5-propylpyrimidine
CID 114734319
6-(7-chloro-1-benzofuran-2-yl)-1H-pyrazin-2-one
CID 106521969
4-chloro-6-(7-chloro-1-benzofuran-2-yl)-5-nitropyrimidine
CID 114734359
4-(7-chloro-1-benzofuran-2-yl)-N-ethylpyrimidin-2-amine
CID 114735069

Frequently Asked Questions

What is the IUPAC name of 4-(7-chloro-1-benzofuran-2-yl)-5-ethyl-1H-pyrimidin-6-one?
The IUPAC name of 4-(7-chloro-1-benzofuran-2-yl)-5-ethyl-1H-pyrimidin-6-one (CID 136770221) is 4-(7-chloro-1-benzofuran-2-yl)-5-ethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(7-chloro-1-benzofuran-2-yl)-5-ethyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(7-chloro-1-benzofuran-2-yl)-5-ethyl-1H-pyrimidin-6-one is CCc1c(-c2cc3cccc(Cl)c3o2)nc[nH]c1=O.
What is the InChIKey of 4-(7-chloro-1-benzofuran-2-yl)-5-ethyl-1H-pyrimidin-6-one?
The InChIKey is CPYAKLZAJGVHBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O2/c1-2-9-12(16-7-17-14(9)18)11-6-8-4-3-5-10(15)13(8)19-11/h3-7H,2H2,1H3,(H,16,17,18).
What are the key properties of 4-(7-chloro-1-benzofuran-2-yl)-5-ethyl-1H-pyrimidin-6-one?
4-(7-chloro-1-benzofuran-2-yl)-5-ethyl-1H-pyrimidin-6-one has a molecular weight of 274.71 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-chloro-1-benzofuran-2-yl)-5-ethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136770221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).