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

C11H17FN2O2 — CID 136997700

IUPAC2-(1-ethoxy-2-methylpropyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one
SMILESCCOC(c1nc(C)c(F)c(=O)[nH]1)C(C)C
InChIInChI=1S/C11H17FN2O2/c1-5-16-9(6(2)3)10-13-7(4)8(12)11(15)14-10/h6,9H,5H2,1-4H3,(H,13,14,15)
InChIKeyIBXGZOWDQUSBSC-UHFFFAOYSA-N
MW228.27 g/mol
LogP1.95
Rot. Bonds4

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

2-(1-ethoxy-2-methylpropyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one (PubChem CID 136997700) has the molecular formula C11H17FN2O2 and a molecular weight of 228.27 g/mol. Its IUPAC name is 2-(1-ethoxy-2-methylpropyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(1-ethoxy-2-methylpropyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one
PubChem CID136997700
Molecular FormulaC11H17FN2O2
Molecular Weight228.27 g/mol
Exact Mass228.13
IUPAC Name2-(1-ethoxy-2-methylpropyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one
SMILESCCOC(c1nc(C)c(F)c(=O)[nH]1)C(C)C
InChIInChI=1S/C11H17FN2O2/c1-5-16-9(6(2)3)10-13-7(4)8(12)11(15)14-10/h6,9H,5H2,1-4H3,(H,13,14,15)
InChIKeyIBXGZOWDQUSBSC-UHFFFAOYSA-N
XLogP1.95
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxy-2-methylpropyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(1-ethoxy-2-methylpropyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one (CID 136997700) is 2-(1-ethoxy-2-methylpropyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(1-ethoxy-2-methylpropyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(1-ethoxy-2-methylpropyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one is CCOC(c1nc(C)c(F)c(=O)[nH]1)C(C)C.
What is the InChIKey of 2-(1-ethoxy-2-methylpropyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one?
The InChIKey is IBXGZOWDQUSBSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2O2/c1-5-16-9(6(2)3)10-13-7(4)8(12)11(15)14-10/h6,9H,5H2,1-4H3,(H,13,14,15).
What are the key properties of 2-(1-ethoxy-2-methylpropyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one?
2-(1-ethoxy-2-methylpropyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one has a molecular weight of 228.27 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxy-2-methylpropyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136997700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).