6-ethoxy-5-fluoro-1H-pyrimidin-2-one

C6H7FN2O2 — CID 165357975

IUPAC6-ethoxy-5-fluoro-1H-pyrimidin-2-one
SMILESCCOc1[nH]c(=O)ncc1F
InChIInChI=1S/C6H7FN2O2/c1-2-11-5-4(7)3-8-6(10)9-5/h3H,2H2,1H3,(H,8,9,10)
InChIKeyQZJINDZNXUFFJD-UHFFFAOYSA-N
MW158.13 g/mol
LogP0.31
Rot. Bonds2

About 6-ethoxy-5-fluoro-1H-pyrimidin-2-one

6-ethoxy-5-fluoro-1H-pyrimidin-2-one (PubChem CID 165357975) has the molecular formula C6H7FN2O2 and a molecular weight of 158.13 g/mol. Its IUPAC name is 6-ethoxy-5-fluoro-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-ethoxy-5-fluoro-1H-pyrimidin-2-one
PubChem CID165357975
Molecular FormulaC6H7FN2O2
Molecular Weight158.13 g/mol
Exact Mass158.05
IUPAC Name6-ethoxy-5-fluoro-1H-pyrimidin-2-one
SMILESCCOc1[nH]c(=O)ncc1F
InChIInChI=1S/C6H7FN2O2/c1-2-11-5-4(7)3-8-6(10)9-5/h3H,2H2,1H3,(H,8,9,10)
InChIKeyQZJINDZNXUFFJD-UHFFFAOYSA-N
XLogP0.31
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.13
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-5-fluoro-1H-pyrimidin-2-one?
The IUPAC name of 6-ethoxy-5-fluoro-1H-pyrimidin-2-one (CID 165357975) is 6-ethoxy-5-fluoro-1H-pyrimidin-2-one.
What is the SMILES notation for 6-ethoxy-5-fluoro-1H-pyrimidin-2-one?
The canonical SMILES for 6-ethoxy-5-fluoro-1H-pyrimidin-2-one is CCOc1[nH]c(=O)ncc1F.
What is the InChIKey of 6-ethoxy-5-fluoro-1H-pyrimidin-2-one?
The InChIKey is QZJINDZNXUFFJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7FN2O2/c1-2-11-5-4(7)3-8-6(10)9-5/h3H,2H2,1H3,(H,8,9,10).
What are the key properties of 6-ethoxy-5-fluoro-1H-pyrimidin-2-one?
6-ethoxy-5-fluoro-1H-pyrimidin-2-one has a molecular weight of 158.13 g/mol, XLogP of 0.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-5-fluoro-1H-pyrimidin-2-one is sourced from PubChem (CID 165357975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).