2-ethyl-4-(5-fluoro-1-benzofuran-2-yl)-5-methyl-1H-pyrimidin-6-one

C15H13FN2O2 — CID 136770193

IUPAC2-ethyl-4-(5-fluoro-1-benzofuran-2-yl)-5-methyl-1H-pyrimidin-6-one
SMILESCCc1nc(-c2cc3cc(F)ccc3o2)c(C)c(=O)[nH]1
InChIInChI=1S/C15H13FN2O2/c1-3-13-17-14(8(2)15(19)18-13)12-7-9-6-10(16)4-5-11(9)20-12/h4-7H,3H2,1-2H3,(H,17,18,19)
InChIKeyLERHNFHEDTZAHQ-UHFFFAOYSA-N
MW272.28 g/mol
LogP3.19
Rot. Bonds2

About 2-ethyl-4-(5-fluoro-1-benzofuran-2-yl)-5-methyl-1H-pyrimidin-6-one

2-ethyl-4-(5-fluoro-1-benzofuran-2-yl)-5-methyl-1H-pyrimidin-6-one (PubChem CID 136770193) has the molecular formula C15H13FN2O2 and a molecular weight of 272.28 g/mol. Its IUPAC name is 2-ethyl-4-(5-fluoro-1-benzofuran-2-yl)-5-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-ethyl-4-(5-fluoro-1-benzofuran-2-yl)-5-methyl-1H-pyrimidin-6-one
PubChem CID136770193
Molecular FormulaC15H13FN2O2
Molecular Weight272.28 g/mol
Exact Mass272.10
IUPAC Name2-ethyl-4-(5-fluoro-1-benzofuran-2-yl)-5-methyl-1H-pyrimidin-6-one
SMILESCCc1nc(-c2cc3cc(F)ccc3o2)c(C)c(=O)[nH]1
InChIInChI=1S/C15H13FN2O2/c1-3-13-17-14(8(2)15(19)18-13)12-7-9-6-10(16)4-5-11(9)20-12/h4-7H,3H2,1-2H3,(H,17,18,19)
InChIKeyLERHNFHEDTZAHQ-UHFFFAOYSA-N
XLogP3.19
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.28
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-6-(5-fluoro-1-benzofuran-2-yl)-1H-pyrimidine-4-thione
CID 106521830
4-(3,5-dimethylphenyl)-2-ethyl-5-methyl-1H-pyrimidin-6-one
CID 136691708
4-chloro-6-(5-fluoro-1-benzofuran-2-yl)-5-methyl-2-propylpyrimidine
CID 114734240
2-ethyl-4-(3-fluoro-4-methylphenyl)-5-methyl-1H-pyrimidin-6-one
CID 136769785
3-(2-ethyl-5-methyl-6-oxo-1H-pyrimidin-4-yl)-5-fluorobenzoic acid
CID 136770477
4-(3-bromo-2-fluorophenyl)-2-ethyl-5-methyl-1H-pyrimidin-6-one
CID 136980800
N,5-diethyl-6-(5-fluoro-1-benzofuran-2-yl)pyrimidin-4-amine
CID 114734804
6-(5-fluoro-1-benzofuran-2-yl)-2-propyl-1H-pyrimidine-4-thione
CID 106521843
4-(2,3-dimethylphenyl)-2-ethyl-5-methyl-1H-pyrimidin-6-one
CID 136692473
2-tert-butyl-4-(5-fluoro-1-benzofuran-2-yl)-1H-pyrimidin-6-one
CID 136770179
4-(3-chlorophenyl)-2-ethyl-5-methyl-1H-pyrimidin-6-one
CID 136692221
6-(5-fluoro-1-benzofuran-2-yl)-2-methyl-N-propylpyrimidin-4-amine
CID 114734829

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-(5-fluoro-1-benzofuran-2-yl)-5-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-ethyl-4-(5-fluoro-1-benzofuran-2-yl)-5-methyl-1H-pyrimidin-6-one (CID 136770193) is 2-ethyl-4-(5-fluoro-1-benzofuran-2-yl)-5-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-ethyl-4-(5-fluoro-1-benzofuran-2-yl)-5-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-ethyl-4-(5-fluoro-1-benzofuran-2-yl)-5-methyl-1H-pyrimidin-6-one is CCc1nc(-c2cc3cc(F)ccc3o2)c(C)c(=O)[nH]1.
What is the InChIKey of 2-ethyl-4-(5-fluoro-1-benzofuran-2-yl)-5-methyl-1H-pyrimidin-6-one?
The InChIKey is LERHNFHEDTZAHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O2/c1-3-13-17-14(8(2)15(19)18-13)12-7-9-6-10(16)4-5-11(9)20-12/h4-7H,3H2,1-2H3,(H,17,18,19).
What are the key properties of 2-ethyl-4-(5-fluoro-1-benzofuran-2-yl)-5-methyl-1H-pyrimidin-6-one?
2-ethyl-4-(5-fluoro-1-benzofuran-2-yl)-5-methyl-1H-pyrimidin-6-one has a molecular weight of 272.28 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-(5-fluoro-1-benzofuran-2-yl)-5-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136770193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).