N-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetamide

C6H6FN3O3 — CID 45119209

IUPACN-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetamide
SMILESCC(=O)Nn1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C6H6FN3O3/c1-3(11)9-10-2-4(7)5(12)8-6(10)13/h2H,1H3,(H,9,11)(H,8,12,13)
InChIKeyYCOVOIDNPFNHIA-UHFFFAOYSA-N
MW187.13 g/mol
LogP-1.23
Rot. Bonds1

About N-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetamide

N-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetamide (PubChem CID 45119209) has the molecular formula C6H6FN3O3 and a molecular weight of 187.13 g/mol. Its IUPAC name is N-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetamide
PubChem CID45119209
Molecular FormulaC6H6FN3O3
Molecular Weight187.13 g/mol
Exact Mass187.04
IUPAC NameN-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetamide
SMILESCC(=O)Nn1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C6H6FN3O3/c1-3(11)9-10-2-4(7)5(12)8-6(10)13/h2H,1H3,(H,9,11)(H,8,12,13)
InChIKeyYCOVOIDNPFNHIA-UHFFFAOYSA-N
XLogP-1.23
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.13
LogP ≤ 5-1.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetamide?
The IUPAC name of N-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetamide (CID 45119209) is N-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetamide is CC(=O)Nn1cc(F)c(=O)[nH]c1=O.
What is the InChIKey of N-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetamide?
The InChIKey is YCOVOIDNPFNHIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6FN3O3/c1-3(11)9-10-2-4(7)5(12)8-6(10)13/h2H,1H3,(H,9,11)(H,8,12,13).
What are the key properties of N-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetamide?
N-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetamide has a molecular weight of 187.13 g/mol, XLogP of -1.23, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 45119209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).