2-tert-butyl-4-(5-fluoro-1-benzofuran-2-yl)-1H-pyrimidin-6-one

C16H15FN2O2 — CID 136770179

IUPAC2-tert-butyl-4-(5-fluoro-1-benzofuran-2-yl)-1H-pyrimidin-6-one
SMILESCC(C)(C)c1nc(-c2cc3cc(F)ccc3o2)cc(=O)[nH]1
InChIInChI=1S/C16H15FN2O2/c1-16(2,3)15-18-11(8-14(20)19-15)13-7-9-6-10(17)4-5-12(9)21-13/h4-8H,1-3H3,(H,18,19,20)
InChIKeyIVEYNIMMJMWIMT-UHFFFAOYSA-N
MW286.31 g/mol
LogP3.62
Rot. Bonds1

About 2-tert-butyl-4-(5-fluoro-1-benzofuran-2-yl)-1H-pyrimidin-6-one

2-tert-butyl-4-(5-fluoro-1-benzofuran-2-yl)-1H-pyrimidin-6-one (PubChem CID 136770179) has the molecular formula C16H15FN2O2 and a molecular weight of 286.31 g/mol. Its IUPAC name is 2-tert-butyl-4-(5-fluoro-1-benzofuran-2-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-tert-butyl-4-(5-fluoro-1-benzofuran-2-yl)-1H-pyrimidin-6-one
PubChem CID136770179
Molecular FormulaC16H15FN2O2
Molecular Weight286.31 g/mol
Exact Mass286.11
IUPAC Name2-tert-butyl-4-(5-fluoro-1-benzofuran-2-yl)-1H-pyrimidin-6-one
SMILESCC(C)(C)c1nc(-c2cc3cc(F)ccc3o2)cc(=O)[nH]1
InChIInChI=1S/C16H15FN2O2/c1-16(2,3)15-18-11(8-14(20)19-15)13-7-9-6-10(17)4-5-12(9)21-13/h4-8H,1-3H3,(H,18,19,20)
InChIKeyIVEYNIMMJMWIMT-UHFFFAOYSA-N
XLogP3.62
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-4-(5-fluoro-1-benzofuran-2-yl)-1H-pyrimidin-6-one
CID 136770178
2-tert-butyl-4-(4-tert-butylphenyl)-1H-pyrimidin-6-one
CID 136692476
6-(5-fluoro-1-benzofuran-2-yl)-2-methyl-N-propylpyrimidin-4-amine
CID 114734829
3-chloro-5-(5-fluoro-1-benzofuran-2-yl)-1H-pyridazin-6-one
CID 106521848
2-ethyl-4-(5-fluoro-1-benzofuran-2-yl)-5-methyl-1H-pyrimidin-6-one
CID 136770193
2-chloro-6-(5-fluoro-1-benzofuran-2-yl)pyridine
CID 114734234
6-(5-fluoro-1-benzofuran-2-yl)-2-propylpyrimidin-4-amine
CID 114734785
4-(5-fluoro-1-benzofuran-2-yl)-N-methylpyrimidin-2-amine
CID 114734817
2-tert-butyl-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrimidin-6-one
CID 136692120
6-(5-fluoro-1-benzofuran-2-yl)-N-propylpyrazin-2-amine
CID 114734823
1-tert-butyl-6-fluoro-2H-isoquinolin-3-one
CID 90892190
2-tert-butyl-4-(4-methyl-3-pyridinyl)-1H-pyrimidin-6-one
CID 136955614

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-(5-fluoro-1-benzofuran-2-yl)-1H-pyrimidin-6-one?
The IUPAC name of 2-tert-butyl-4-(5-fluoro-1-benzofuran-2-yl)-1H-pyrimidin-6-one (CID 136770179) is 2-tert-butyl-4-(5-fluoro-1-benzofuran-2-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-tert-butyl-4-(5-fluoro-1-benzofuran-2-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-tert-butyl-4-(5-fluoro-1-benzofuran-2-yl)-1H-pyrimidin-6-one is CC(C)(C)c1nc(-c2cc3cc(F)ccc3o2)cc(=O)[nH]1.
What is the InChIKey of 2-tert-butyl-4-(5-fluoro-1-benzofuran-2-yl)-1H-pyrimidin-6-one?
The InChIKey is IVEYNIMMJMWIMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O2/c1-16(2,3)15-18-11(8-14(20)19-15)13-7-9-6-10(17)4-5-12(9)21-13/h4-8H,1-3H3,(H,18,19,20).
What are the key properties of 2-tert-butyl-4-(5-fluoro-1-benzofuran-2-yl)-1H-pyrimidin-6-one?
2-tert-butyl-4-(5-fluoro-1-benzofuran-2-yl)-1H-pyrimidin-6-one has a molecular weight of 286.31 g/mol, XLogP of 3.62, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-(5-fluoro-1-benzofuran-2-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136770179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).