2-(5-ethylfuran-2-yl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one

C13H16N2O3 — CID 63613819

IUPAC2-(5-ethylfuran-2-yl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one
SMILESCCCc1c(O)nc(-c2ccc(CC)o2)[nH]c1=O
InChIInChI=1S/C13H16N2O3/c1-3-5-9-12(16)14-11(15-13(9)17)10-7-6-8(4-2)18-10/h6-7H,3-5H2,1-2H3,(H2,14,15,16,17)
InChIKeyJEUPHJFNZOAAMG-UHFFFAOYSA-N
MW248.28 g/mol
LogP2.25
Rot. Bonds4

About 2-(5-ethylfuran-2-yl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one

2-(5-ethylfuran-2-yl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one (PubChem CID 63613819) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 2-(5-ethylfuran-2-yl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(5-ethylfuran-2-yl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one
PubChem CID63613819
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name2-(5-ethylfuran-2-yl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one
SMILESCCCc1c(O)nc(-c2ccc(CC)o2)[nH]c1=O
InChIInChI=1S/C13H16N2O3/c1-3-5-9-12(16)14-11(15-13(9)17)10-7-6-8(4-2)18-10/h6-7H,3-5H2,1-2H3,(H2,14,15,16,17)
InChIKeyJEUPHJFNZOAAMG-UHFFFAOYSA-N
XLogP2.25
TPSA79.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-ethylfuran-2-yl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(5-ethylfuran-2-yl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one (CID 63613819) is 2-(5-ethylfuran-2-yl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(5-ethylfuran-2-yl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(5-ethylfuran-2-yl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one is CCCc1c(O)nc(-c2ccc(CC)o2)[nH]c1=O.
What is the InChIKey of 2-(5-ethylfuran-2-yl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one?
The InChIKey is JEUPHJFNZOAAMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-3-5-9-12(16)14-11(15-13(9)17)10-7-6-8(4-2)18-10/h6-7H,3-5H2,1-2H3,(H2,14,15,16,17).
What are the key properties of 2-(5-ethylfuran-2-yl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one?
2-(5-ethylfuran-2-yl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one has a molecular weight of 248.28 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethylfuran-2-yl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one is sourced from PubChem (CID 63613819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).