2-(5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)acetamide

C6H6FN3O3 — CID 56684003

IUPAC2-(5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)acetamide
SMILESNC(=O)Cn1c(=O)[nH]cc(F)c1=O
InChIInChI=1S/C6H6FN3O3/c7-3-1-9-6(13)10(5(3)12)2-4(8)11/h1H,2H2,(H2,8,11)(H,9,13)
InChIKeyXAWPQHSCIDWGIT-UHFFFAOYSA-N
MW187.13 g/mol
LogP-1.84
Rot. Bonds2

About 2-(5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)acetamide

2-(5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)acetamide (PubChem CID 56684003) has the molecular formula C6H6FN3O3 and a molecular weight of 187.13 g/mol. Its IUPAC name is 2-(5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)acetamide.

Molecular Properties

Compound Name2-(5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)acetamide
PubChem CID56684003
Molecular FormulaC6H6FN3O3
Molecular Weight187.13 g/mol
Exact Mass187.04
IUPAC Name2-(5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)acetamide
SMILESNC(=O)Cn1c(=O)[nH]cc(F)c1=O
InChIInChI=1S/C6H6FN3O3/c7-3-1-9-6(13)10(5(3)12)2-4(8)11/h1H,2H2,(H2,8,11)(H,9,13)
InChIKeyXAWPQHSCIDWGIT-UHFFFAOYSA-N
XLogP-1.84
TPSA97.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.13
LogP ≤ 5-1.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)acetamide?
The IUPAC name of 2-(5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)acetamide (CID 56684003) is 2-(5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)acetamide.
What is the SMILES notation for 2-(5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)acetamide?
The canonical SMILES for 2-(5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)acetamide is NC(=O)Cn1c(=O)[nH]cc(F)c1=O.
What is the InChIKey of 2-(5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)acetamide?
The InChIKey is XAWPQHSCIDWGIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6FN3O3/c7-3-1-9-6(13)10(5(3)12)2-4(8)11/h1H,2H2,(H2,8,11)(H,9,13).
What are the key properties of 2-(5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)acetamide?
2-(5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)acetamide has a molecular weight of 187.13 g/mol, XLogP of -1.84, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)acetamide is sourced from PubChem (CID 56684003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).