2-(1-ethoxybutyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one

C11H18N2O3 — CID 116705682

IUPAC2-(1-ethoxybutyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
SMILESCCCC(OCC)c1nc(O)c(C)c(=O)[nH]1
InChIInChI=1S/C11H18N2O3/c1-4-6-8(16-5-2)9-12-10(14)7(3)11(15)13-9/h8H,4-6H2,1-3H3,(H2,12,13,14,15)
InChIKeyZFXQGPGOKUBHLK-UHFFFAOYSA-N
MW226.28 g/mol
LogP1.66
Rot. Bonds5

About 2-(1-ethoxybutyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one

2-(1-ethoxybutyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one (PubChem CID 116705682) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 2-(1-ethoxybutyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(1-ethoxybutyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
PubChem CID116705682
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name2-(1-ethoxybutyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
SMILESCCCC(OCC)c1nc(O)c(C)c(=O)[nH]1
InChIInChI=1S/C11H18N2O3/c1-4-6-8(16-5-2)9-12-10(14)7(3)11(15)13-9/h8H,4-6H2,1-3H3,(H2,12,13,14,15)
InChIKeyZFXQGPGOKUBHLK-UHFFFAOYSA-N
XLogP1.66
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxybutyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(1-ethoxybutyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one (CID 116705682) is 2-(1-ethoxybutyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(1-ethoxybutyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(1-ethoxybutyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one is CCCC(OCC)c1nc(O)c(C)c(=O)[nH]1.
What is the InChIKey of 2-(1-ethoxybutyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one?
The InChIKey is ZFXQGPGOKUBHLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-4-6-8(16-5-2)9-12-10(14)7(3)11(15)13-9/h8H,4-6H2,1-3H3,(H2,12,13,14,15).
What are the key properties of 2-(1-ethoxybutyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one?
2-(1-ethoxybutyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one has a molecular weight of 226.28 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxybutyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 116705682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).