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

C9H13FN2O2 — CID 136745765

IUPAC2-(2-ethoxyethyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one
SMILESCCOCCc1nc(C)c(F)c(=O)[nH]1
InChIInChI=1S/C9H13FN2O2/c1-3-14-5-4-7-11-6(2)8(10)9(13)12-7/h3-5H2,1-2H3,(H,11,12,13)
InChIKeyHTMMBRZUKNNSFI-UHFFFAOYSA-N
MW200.21 g/mol
LogP0.80
Rot. Bonds4

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

2-(2-ethoxyethyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one (PubChem CID 136745765) has the molecular formula C9H13FN2O2 and a molecular weight of 200.21 g/mol. Its IUPAC name is 2-(2-ethoxyethyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(2-ethoxyethyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one
PubChem CID136745765
Molecular FormulaC9H13FN2O2
Molecular Weight200.21 g/mol
Exact Mass200.10
IUPAC Name2-(2-ethoxyethyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one
SMILESCCOCCc1nc(C)c(F)c(=O)[nH]1
InChIInChI=1S/C9H13FN2O2/c1-3-14-5-4-7-11-6(2)8(10)9(13)12-7/h3-5H2,1-2H3,(H,11,12,13)
InChIKeyHTMMBRZUKNNSFI-UHFFFAOYSA-N
XLogP0.80
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.21
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyethyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(2-ethoxyethyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one (CID 136745765) is 2-(2-ethoxyethyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(2-ethoxyethyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(2-ethoxyethyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one is CCOCCc1nc(C)c(F)c(=O)[nH]1.
What is the InChIKey of 2-(2-ethoxyethyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one?
The InChIKey is HTMMBRZUKNNSFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN2O2/c1-3-14-5-4-7-11-6(2)8(10)9(13)12-7/h3-5H2,1-2H3,(H,11,12,13).
What are the key properties of 2-(2-ethoxyethyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one?
2-(2-ethoxyethyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one has a molecular weight of 200.21 g/mol, XLogP of 0.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyethyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136745765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).