2-fluoro-4-methoxy-1H-pyrimidin-6-one

C5H5FN2O2 — CID 129239113

IUPAC2-fluoro-4-methoxy-1H-pyrimidin-6-one
SMILESCOc1cc(=O)[nH]c(F)n1
InChIInChI=1S/C5H5FN2O2/c1-10-4-2-3(9)7-5(6)8-4/h2H,1H3,(H,7,8,9)
InChIKeyNBVKDLMZIMVKAR-UHFFFAOYSA-N
MW144.10 g/mol
LogP-0.08
Rot. Bonds1

About 2-fluoro-4-methoxy-1H-pyrimidin-6-one

2-fluoro-4-methoxy-1H-pyrimidin-6-one (PubChem CID 129239113) has the molecular formula C5H5FN2O2 and a molecular weight of 144.10 g/mol. Its IUPAC name is 2-fluoro-4-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-fluoro-4-methoxy-1H-pyrimidin-6-one
PubChem CID129239113
Molecular FormulaC5H5FN2O2
Molecular Weight144.10 g/mol
Exact Mass144.03
IUPAC Name2-fluoro-4-methoxy-1H-pyrimidin-6-one
SMILESCOc1cc(=O)[nH]c(F)n1
InChIInChI=1S/C5H5FN2O2/c1-10-4-2-3(9)7-5(6)8-4/h2H,1H3,(H,7,8,9)
InChIKeyNBVKDLMZIMVKAR-UHFFFAOYSA-N
XLogP-0.08
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.10
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 2-fluoro-4-methoxy-1H-pyrimidin-6-one (CID 129239113) is 2-fluoro-4-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-fluoro-4-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-fluoro-4-methoxy-1H-pyrimidin-6-one is COc1cc(=O)[nH]c(F)n1.
What is the InChIKey of 2-fluoro-4-methoxy-1H-pyrimidin-6-one?
The InChIKey is NBVKDLMZIMVKAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5FN2O2/c1-10-4-2-3(9)7-5(6)8-4/h2H,1H3,(H,7,8,9).
What are the key properties of 2-fluoro-4-methoxy-1H-pyrimidin-6-one?
2-fluoro-4-methoxy-1H-pyrimidin-6-one has a molecular weight of 144.10 g/mol, XLogP of -0.08, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 129239113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).