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

C9H14N2O3 — CID 64540876

IUPAC2-(1-ethoxyethyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
SMILESCCOC(C)c1nc(O)c(C)c(=O)[nH]1
InChIInChI=1S/C9H14N2O3/c1-4-14-6(3)7-10-8(12)5(2)9(13)11-7/h6H,4H2,1-3H3,(H2,10,11,12,13)
InChIKeyIGQDLDFHQOOIFK-UHFFFAOYSA-N
MW198.22 g/mol
LogP0.88
Rot. Bonds3

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

2-(1-ethoxyethyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one (PubChem CID 64540876) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is 2-(1-ethoxyethyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(1-ethoxyethyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
PubChem CID64540876
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Name2-(1-ethoxyethyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
SMILESCCOC(C)c1nc(O)c(C)c(=O)[nH]1
InChIInChI=1S/C9H14N2O3/c1-4-14-6(3)7-10-8(12)5(2)9(13)11-7/h6H,4H2,1-3H3,(H2,10,11,12,13)
InChIKeyIGQDLDFHQOOIFK-UHFFFAOYSA-N
XLogP0.88
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-Hydroxy-2-(hydroxymethyl)-5-methylpyrimidin-4(3h)-one
CID 237016
4-hydroxy-5-methyl-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one
CID 103473469
4-hydroxy-5-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1H-pyrimidin-6-one
CID 113819702
4-amino-5-methyl-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one
CID 136890395
(4-hydroxy-5-methyl-6-oxo-1H-pyrimidin-2-yl)methyl acetate
CID 58937973
4-hydroxy-2-(methoxymethyl)-5-methyl-1H-pyrimidin-6-one
CID 63612104
2-(ethoxymethyl)-4,5-dimethyl-1H-pyrimidin-6-one
CID 136233876
4-hydroxy-2-(methoxymethyl)-5-propan-2-yl-1H-pyrimidin-6-one
CID 63611277
4-hydroxy-5-propan-2-yl-2-(propoxymethyl)-1H-pyrimidin-6-one
CID 63611442
4-hydroxy-2-(2-methoxyethyl)-5-methyl-1H-pyrimidin-6-one
CID 63611760
4-hydroxy-5-methyl-2-(propoxymethyl)-1H-pyrimidin-6-one
CID 63612277
5-ethyl-4-hydroxy-2-(methoxymethyl)-1H-pyrimidin-6-one
CID 63612450

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxyethyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(1-ethoxyethyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one (CID 64540876) is 2-(1-ethoxyethyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(1-ethoxyethyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(1-ethoxyethyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one is CCOC(C)c1nc(O)c(C)c(=O)[nH]1.
What is the InChIKey of 2-(1-ethoxyethyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one?
The InChIKey is IGQDLDFHQOOIFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3/c1-4-14-6(3)7-10-8(12)5(2)9(13)11-7/h6H,4H2,1-3H3,(H2,10,11,12,13).
What are the key properties of 2-(1-ethoxyethyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one?
2-(1-ethoxyethyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one has a molecular weight of 198.22 g/mol, XLogP of 0.88, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxyethyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 64540876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).