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

C15H11FN2O2 — CID 136770178

IUPAC2-cyclopropyl-4-(5-fluoro-1-benzofuran-2-yl)-1H-pyrimidin-6-one
SMILESO=c1cc(-c2cc3cc(F)ccc3o2)nc(C2CC2)[nH]1
InChIInChI=1S/C15H11FN2O2/c16-10-3-4-12-9(5-10)6-13(20-12)11-7-14(19)18-15(17-11)8-1-2-8/h3-8H,1-2H2,(H,17,18,19)
InChIKeyUITUTTNLCGCDDE-UHFFFAOYSA-N
MW270.26 g/mol
LogP3.20
Rot. Bonds2

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

2-cyclopropyl-4-(5-fluoro-1-benzofuran-2-yl)-1H-pyrimidin-6-one (PubChem CID 136770178) has the molecular formula C15H11FN2O2 and a molecular weight of 270.26 g/mol. Its IUPAC name is 2-cyclopropyl-4-(5-fluoro-1-benzofuran-2-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-(5-fluoro-1-benzofuran-2-yl)-1H-pyrimidin-6-one
PubChem CID136770178
Molecular FormulaC15H11FN2O2
Molecular Weight270.26 g/mol
Exact Mass270.08
IUPAC Name2-cyclopropyl-4-(5-fluoro-1-benzofuran-2-yl)-1H-pyrimidin-6-one
SMILESO=c1cc(-c2cc3cc(F)ccc3o2)nc(C2CC2)[nH]1
InChIInChI=1S/C15H11FN2O2/c16-10-3-4-12-9(5-10)6-13(20-12)11-7-14(19)18-15(17-11)8-1-2-8/h3-8H,1-2H2,(H,17,18,19)
InChIKeyUITUTTNLCGCDDE-UHFFFAOYSA-N
XLogP3.20
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.26
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-tert-butyl-4-(5-fluoro-1-benzofuran-2-yl)-1H-pyrimidin-6-one
CID 136770179
4-(2-chloro-5-fluorophenyl)-2-cyclopropyl-1H-pyrimidin-6-one
CID 136770507
2-cyclopropyl-4-(3,4-difluorophenyl)-1H-pyrimidin-6-one
CID 136692579
4-(5-methylfuran-2-yl)-2-(oxan-4-yl)-1H-pyrimidin-6-one
CID 154787362
2-cyclopropyl-4-(2,3,4-trifluorophenyl)-1H-pyrimidin-6-one
CID 136692778
2-cyclopropyl-4-(5-fluoro-2-methylphenoxy)-1H-pyrimidin-6-one
CID 103242112
3-chloro-5-(5-fluoro-1-benzofuran-2-yl)-1H-pyridazin-6-one
CID 106521848
4-(3-chlorophenyl)-2-cyclopropyl-1H-pyrimidin-6-one
CID 136910495
2-chloro-6-(5-fluoro-1-benzofuran-2-yl)pyridine
CID 114734234
3-(5-fluoro-1-benzofuran-2-yl)cyclopent-2-en-1-one
CID 114733240
4-(3-cyclobutylphenyl)-2-cyclopropyl-1H-pyrimidin-6-one
CID 136770354
4-(3-chloro-4-methylphenyl)-2-cyclopropyl-1H-pyrimidin-6-one
CID 136955676

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-(5-fluoro-1-benzofuran-2-yl)-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-(5-fluoro-1-benzofuran-2-yl)-1H-pyrimidin-6-one (CID 136770178) is 2-cyclopropyl-4-(5-fluoro-1-benzofuran-2-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-(5-fluoro-1-benzofuran-2-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-(5-fluoro-1-benzofuran-2-yl)-1H-pyrimidin-6-one is O=c1cc(-c2cc3cc(F)ccc3o2)nc(C2CC2)[nH]1.
What is the InChIKey of 2-cyclopropyl-4-(5-fluoro-1-benzofuran-2-yl)-1H-pyrimidin-6-one?
The InChIKey is UITUTTNLCGCDDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O2/c16-10-3-4-12-9(5-10)6-13(20-12)11-7-14(19)18-15(17-11)8-1-2-8/h3-8H,1-2H2,(H,17,18,19).
What are the key properties of 2-cyclopropyl-4-(5-fluoro-1-benzofuran-2-yl)-1H-pyrimidin-6-one?
2-cyclopropyl-4-(5-fluoro-1-benzofuran-2-yl)-1H-pyrimidin-6-one has a molecular weight of 270.26 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-(5-fluoro-1-benzofuran-2-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136770178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).