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

C11H17FN2O2 — CID 136997703

IUPAC2-(1-ethoxybutyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one
SMILESCCCC(OCC)c1nc(C)c(F)c(=O)[nH]1
InChIInChI=1S/C11H17FN2O2/c1-4-6-8(16-5-2)10-13-7(3)9(12)11(15)14-10/h8H,4-6H2,1-3H3,(H,13,14,15)
InChIKeyNQMQSLCVZKQXFH-UHFFFAOYSA-N
MW228.27 g/mol
LogP2.10
Rot. Bonds5

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

2-(1-ethoxybutyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one (PubChem CID 136997703) has the molecular formula C11H17FN2O2 and a molecular weight of 228.27 g/mol. Its IUPAC name is 2-(1-ethoxybutyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(1-ethoxybutyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one
PubChem CID136997703
Molecular FormulaC11H17FN2O2
Molecular Weight228.27 g/mol
Exact Mass228.13
IUPAC Name2-(1-ethoxybutyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one
SMILESCCCC(OCC)c1nc(C)c(F)c(=O)[nH]1
InChIInChI=1S/C11H17FN2O2/c1-4-6-8(16-5-2)10-13-7(3)9(12)11(15)14-10/h8H,4-6H2,1-3H3,(H,13,14,15)
InChIKeyNQMQSLCVZKQXFH-UHFFFAOYSA-N
XLogP2.10
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-ethoxyethyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one
CID 136228728
2-(ethoxymethyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one
CID 136228748
2-(1,4-dioxan-2-yl)-5-fluoro-4-methyl-1H-pyrimidin-6-one
CID 136228844
5-fluoro-4-methyl-2-(propoxymethyl)-1H-pyrimidin-6-one
CID 136228867
5-fluoro-4-methyl-2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one
CID 136228886
5-fluoro-4-methyl-2-(oxolan-2-yl)-1H-pyrimidin-6-one
CID 136228887
5-fluoro-2-(1-methoxyethyl)-4-methyl-1H-pyrimidin-6-one
CID 136283827
5-fluoro-4-methyl-2-(5-methyloxolan-2-yl)-1H-pyrimidin-6-one
CID 136322938
5-fluoro-2-(2-methoxypropyl)-4-methyl-1H-pyrimidin-6-one
CID 136730196
2-(2-ethoxybutan-2-yl)-5-fluoro-4-methyl-1H-pyrimidin-6-one
CID 136963828
2-(3-ethoxypentan-3-yl)-5-fluoro-4-methyl-1H-pyrimidin-6-one
CID 136963831
2-(1-ethoxy-2,2-dimethylpropyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one
CID 136983233

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxybutyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(1-ethoxybutyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one (CID 136997703) is 2-(1-ethoxybutyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(1-ethoxybutyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(1-ethoxybutyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one is CCCC(OCC)c1nc(C)c(F)c(=O)[nH]1.
What is the InChIKey of 2-(1-ethoxybutyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one?
The InChIKey is NQMQSLCVZKQXFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2O2/c1-4-6-8(16-5-2)10-13-7(3)9(12)11(15)14-10/h8H,4-6H2,1-3H3,(H,13,14,15).
What are the key properties of 2-(1-ethoxybutyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one?
2-(1-ethoxybutyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one has a molecular weight of 228.27 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxybutyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136997703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).