N-(5-fluoro-6-oxo-1H-pyrimidin-2-yl)acetamide

C6H6FN3O2 — CID 124908324

IUPACN-(5-fluoro-6-oxo-1H-pyrimidin-2-yl)acetamide
SMILESCC(=O)Nc1ncc(F)c(=O)[nH]1
InChIInChI=1S/C6H6FN3O2/c1-3(11)9-6-8-2-4(7)5(12)10-6/h2H,1H3,(H2,8,9,10,11,12)
InChIKeyMZLKRMFQMCDIIU-UHFFFAOYSA-N
MW171.13 g/mol
LogP-0.13
Rot. Bonds1

About N-(5-fluoro-6-oxo-1H-pyrimidin-2-yl)acetamide

N-(5-fluoro-6-oxo-1H-pyrimidin-2-yl)acetamide (PubChem CID 124908324) has the molecular formula C6H6FN3O2 and a molecular weight of 171.13 g/mol. Its IUPAC name is N-(5-fluoro-6-oxo-1H-pyrimidin-2-yl)acetamide.

Molecular Properties

Compound NameN-(5-fluoro-6-oxo-1H-pyrimidin-2-yl)acetamide
PubChem CID124908324
Molecular FormulaC6H6FN3O2
Molecular Weight171.13 g/mol
Exact Mass171.04
IUPAC NameN-(5-fluoro-6-oxo-1H-pyrimidin-2-yl)acetamide
SMILESCC(=O)Nc1ncc(F)c(=O)[nH]1
InChIInChI=1S/C6H6FN3O2/c1-3(11)9-6-8-2-4(7)5(12)10-6/h2H,1H3,(H2,8,9,10,11,12)
InChIKeyMZLKRMFQMCDIIU-UHFFFAOYSA-N
XLogP-0.13
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.13
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-6-oxo-1H-pyrimidin-2-yl)acetamide?
The IUPAC name of N-(5-fluoro-6-oxo-1H-pyrimidin-2-yl)acetamide (CID 124908324) is N-(5-fluoro-6-oxo-1H-pyrimidin-2-yl)acetamide.
What is the SMILES notation for N-(5-fluoro-6-oxo-1H-pyrimidin-2-yl)acetamide?
The canonical SMILES for N-(5-fluoro-6-oxo-1H-pyrimidin-2-yl)acetamide is CC(=O)Nc1ncc(F)c(=O)[nH]1.
What is the InChIKey of N-(5-fluoro-6-oxo-1H-pyrimidin-2-yl)acetamide?
The InChIKey is MZLKRMFQMCDIIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6FN3O2/c1-3(11)9-6-8-2-4(7)5(12)10-6/h2H,1H3,(H2,8,9,10,11,12).
What are the key properties of N-(5-fluoro-6-oxo-1H-pyrimidin-2-yl)acetamide?
N-(5-fluoro-6-oxo-1H-pyrimidin-2-yl)acetamide has a molecular weight of 171.13 g/mol, XLogP of -0.13, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-6-oxo-1H-pyrimidin-2-yl)acetamide is sourced from PubChem (CID 124908324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).