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

C13H9ClN2O2 — CID 136770216

IUPAC4-(7-chloro-1-benzofuran-2-yl)-5-methyl-1H-pyrimidin-6-one
SMILESCc1c(-c2cc3cccc(Cl)c3o2)nc[nH]c1=O
InChIInChI=1S/C13H9ClN2O2/c1-7-11(15-6-16-13(7)17)10-5-8-3-2-4-9(14)12(8)18-10/h2-6H,1H3,(H,15,16,17)
InChIKeyFXEAYWHCNANCMX-UHFFFAOYSA-N
MW260.68 g/mol
LogP3.14
Rot. Bonds1

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

4-(7-chloro-1-benzofuran-2-yl)-5-methyl-1H-pyrimidin-6-one (PubChem CID 136770216) has the molecular formula C13H9ClN2O2 and a molecular weight of 260.68 g/mol. Its IUPAC name is 4-(7-chloro-1-benzofuran-2-yl)-5-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(7-chloro-1-benzofuran-2-yl)-5-methyl-1H-pyrimidin-6-one
PubChem CID136770216
Molecular FormulaC13H9ClN2O2
Molecular Weight260.68 g/mol
Exact Mass260.04
IUPAC Name4-(7-chloro-1-benzofuran-2-yl)-5-methyl-1H-pyrimidin-6-one
SMILESCc1c(-c2cc3cccc(Cl)c3o2)nc[nH]c1=O
InChIInChI=1S/C13H9ClN2O2/c1-7-11(15-6-16-13(7)17)10-5-8-3-2-4-9(14)12(8)18-10/h2-6H,1H3,(H,15,16,17)
InChIKeyFXEAYWHCNANCMX-UHFFFAOYSA-N
XLogP3.14
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.68
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(7-chloro-1-benzofuran-2-yl)-5-ethyl-1H-pyrimidin-6-one
CID 136770221
4-(7-chloro-1-benzofuran-2-yl)-2-cyclopropyl-5-methyl-1H-pyrimidin-6-one
CID 136770228
6-(7-chloro-1-benzofuran-2-yl)-1H-pyrimidin-2-one
CID 106521970
5-chloro-4-(7-chloro-1-benzofuran-2-yl)pyrimidine
CID 105371641
2-chloro-4-(7-chloro-1-benzofuran-2-yl)-5-fluoropyrimidine
CID 114734336
6-(7-chloro-1-benzofuran-2-yl)-1H-pyrazin-2-one
CID 106521969
6-(7-chloro-1-benzofuran-2-yl)-4-methylpyridin-3-amine
CID 114256473
4-chloro-6-(7-chloro-1-benzofuran-2-yl)-5-nitropyrimidine
CID 114734359
4-(2-chloro-5-fluorophenyl)-5-methyl-1H-pyrimidin-6-one
CID 136770511
3-(7-fluoro-1-benzofuran-2-yl)-1H-pyrazin-2-one
CID 106521879
4-(7-chloro-1-benzofuran-2-yl)-3-methylbenzaldehyde
CID 114732125
4-(3-methoxyphenyl)-5-methyl-1H-pyrimidin-6-one
CID 136692138

Frequently Asked Questions

What is the IUPAC name of 4-(7-chloro-1-benzofuran-2-yl)-5-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-(7-chloro-1-benzofuran-2-yl)-5-methyl-1H-pyrimidin-6-one (CID 136770216) is 4-(7-chloro-1-benzofuran-2-yl)-5-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(7-chloro-1-benzofuran-2-yl)-5-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(7-chloro-1-benzofuran-2-yl)-5-methyl-1H-pyrimidin-6-one is Cc1c(-c2cc3cccc(Cl)c3o2)nc[nH]c1=O.
What is the InChIKey of 4-(7-chloro-1-benzofuran-2-yl)-5-methyl-1H-pyrimidin-6-one?
The InChIKey is FXEAYWHCNANCMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2O2/c1-7-11(15-6-16-13(7)17)10-5-8-3-2-4-9(14)12(8)18-10/h2-6H,1H3,(H,15,16,17).
What are the key properties of 4-(7-chloro-1-benzofuran-2-yl)-5-methyl-1H-pyrimidin-6-one?
4-(7-chloro-1-benzofuran-2-yl)-5-methyl-1H-pyrimidin-6-one has a molecular weight of 260.68 g/mol, XLogP of 3.14, 1 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-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136770216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).