2-(1-ethoxy-2,2-dimethylpropyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one

C12H19FN2O2 — CID 136983233

IUPAC2-(1-ethoxy-2,2-dimethylpropyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one
SMILESCCOC(c1nc(C)c(F)c(=O)[nH]1)C(C)(C)C
InChIInChI=1S/C12H19FN2O2/c1-6-17-9(12(3,4)5)10-14-7(2)8(13)11(16)15-10/h9H,6H2,1-5H3,(H,14,15,16)
InChIKeySTYKAYKQSHJTPL-UHFFFAOYSA-N
MW242.29 g/mol
LogP2.34
Rot. Bonds3

About 2-(1-ethoxy-2,2-dimethylpropyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one

2-(1-ethoxy-2,2-dimethylpropyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one (PubChem CID 136983233) has the molecular formula C12H19FN2O2 and a molecular weight of 242.29 g/mol. Its IUPAC name is 2-(1-ethoxy-2,2-dimethylpropyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(1-ethoxy-2,2-dimethylpropyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one
PubChem CID136983233
Molecular FormulaC12H19FN2O2
Molecular Weight242.29 g/mol
Exact Mass242.14
IUPAC Name2-(1-ethoxy-2,2-dimethylpropyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one
SMILESCCOC(c1nc(C)c(F)c(=O)[nH]1)C(C)(C)C
InChIInChI=1S/C12H19FN2O2/c1-6-17-9(12(3,4)5)10-14-7(2)8(13)11(16)15-10/h9H,6H2,1-5H3,(H,14,15,16)
InChIKeySTYKAYKQSHJTPL-UHFFFAOYSA-N
XLogP2.34
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.29
LogP ≤ 52.34
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-2-(1-methoxyethyl)-4-methyl-1H-pyrimidin-6-one
CID 136283827
5-fluoro-2-(2-methoxybutan-2-yl)-4-methyl-1H-pyrimidin-6-one
CID 136963827
2-(2-ethoxybutan-2-yl)-5-fluoro-4-methyl-1H-pyrimidin-6-one
CID 136963828
5-fluoro-2-(3-methoxypentan-3-yl)-4-methyl-1H-pyrimidin-6-one
CID 136963829
2-(3-ethoxypentan-3-yl)-5-fluoro-4-methyl-1H-pyrimidin-6-one
CID 136963831
2-[cyclopropyl(ethoxy)methyl]-5-fluoro-4-methyl-1H-pyrimidin-6-one
CID 136997697
2-(2-ethoxypropan-2-yl)-5-fluoro-4-methyl-1H-pyrimidin-6-one
CID 136997699
2-(1-ethoxy-2-methylpropyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one
CID 136997700

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxy-2,2-dimethylpropyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(1-ethoxy-2,2-dimethylpropyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one (CID 136983233) is 2-(1-ethoxy-2,2-dimethylpropyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(1-ethoxy-2,2-dimethylpropyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(1-ethoxy-2,2-dimethylpropyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one is CCOC(c1nc(C)c(F)c(=O)[nH]1)C(C)(C)C.
What is the InChIKey of 2-(1-ethoxy-2,2-dimethylpropyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one?
The InChIKey is STYKAYKQSHJTPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2O2/c1-6-17-9(12(3,4)5)10-14-7(2)8(13)11(16)15-10/h9H,6H2,1-5H3,(H,14,15,16).
What are the key properties of 2-(1-ethoxy-2,2-dimethylpropyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one?
2-(1-ethoxy-2,2-dimethylpropyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one has a molecular weight of 242.29 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxy-2,2-dimethylpropyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136983233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).