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

C10H15FN2O2 — CID 136997699

IUPAC2-(2-ethoxypropan-2-yl)-5-fluoro-4-methyl-1H-pyrimidin-6-one
SMILESCCOC(C)(C)c1nc(C)c(F)c(=O)[nH]1
InChIInChI=1S/C10H15FN2O2/c1-5-15-10(3,4)9-12-6(2)7(11)8(14)13-9/h5H2,1-4H3,(H,12,13,14)
InChIKeyVTVOUSQTNZXOHM-UHFFFAOYSA-N
MW214.24 g/mol
LogP1.49
Rot. Bonds3

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

2-(2-ethoxypropan-2-yl)-5-fluoro-4-methyl-1H-pyrimidin-6-one (PubChem CID 136997699) has the molecular formula C10H15FN2O2 and a molecular weight of 214.24 g/mol. Its IUPAC name is 2-(2-ethoxypropan-2-yl)-5-fluoro-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(2-ethoxypropan-2-yl)-5-fluoro-4-methyl-1H-pyrimidin-6-one
PubChem CID136997699
Molecular FormulaC10H15FN2O2
Molecular Weight214.24 g/mol
Exact Mass214.11
IUPAC Name2-(2-ethoxypropan-2-yl)-5-fluoro-4-methyl-1H-pyrimidin-6-one
SMILESCCOC(C)(C)c1nc(C)c(F)c(=O)[nH]1
InChIInChI=1S/C10H15FN2O2/c1-5-15-10(3,4)9-12-6(2)7(11)8(14)13-9/h5H2,1-4H3,(H,12,13,14)
InChIKeyVTVOUSQTNZXOHM-UHFFFAOYSA-N
XLogP1.49
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.24
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxypropan-2-yl)-5-fluoro-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(2-ethoxypropan-2-yl)-5-fluoro-4-methyl-1H-pyrimidin-6-one (CID 136997699) is 2-(2-ethoxypropan-2-yl)-5-fluoro-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(2-ethoxypropan-2-yl)-5-fluoro-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(2-ethoxypropan-2-yl)-5-fluoro-4-methyl-1H-pyrimidin-6-one is CCOC(C)(C)c1nc(C)c(F)c(=O)[nH]1.
What is the InChIKey of 2-(2-ethoxypropan-2-yl)-5-fluoro-4-methyl-1H-pyrimidin-6-one?
The InChIKey is VTVOUSQTNZXOHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2O2/c1-5-15-10(3,4)9-12-6(2)7(11)8(14)13-9/h5H2,1-4H3,(H,12,13,14).
What are the key properties of 2-(2-ethoxypropan-2-yl)-5-fluoro-4-methyl-1H-pyrimidin-6-one?
2-(2-ethoxypropan-2-yl)-5-fluoro-4-methyl-1H-pyrimidin-6-one has a molecular weight of 214.24 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxypropan-2-yl)-5-fluoro-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136997699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).