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

C7H8FN3O3 — CID 129081754

IUPAC2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-N-methylacetamide
SMILESCNC(=O)Cn1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C7H8FN3O3/c1-9-5(12)3-11-2-4(8)6(13)10-7(11)14/h2H,3H2,1H3,(H,9,12)(H,10,13,14)
InChIKeyFURALQMILXRRKV-UHFFFAOYSA-N
MW201.16 g/mol
LogP-1.58
Rot. Bonds2

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

2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-N-methylacetamide (PubChem CID 129081754) has the molecular formula C7H8FN3O3 and a molecular weight of 201.16 g/mol. Its IUPAC name is 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-N-methylacetamide.

Molecular Properties

Compound Name2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-N-methylacetamide
PubChem CID129081754
Molecular FormulaC7H8FN3O3
Molecular Weight201.16 g/mol
Exact Mass201.05
IUPAC Name2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-N-methylacetamide
SMILESCNC(=O)Cn1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C7H8FN3O3/c1-9-5(12)3-11-2-4(8)6(13)10-7(11)14/h2H,3H2,1H3,(H,9,12)(H,10,13,14)
InChIKeyFURALQMILXRRKV-UHFFFAOYSA-N
XLogP-1.58
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.16
LogP ≤ 5-1.58
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-dioxopyrimidin-1-yl)-N-methylacetamide?
The IUPAC name of 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-N-methylacetamide (CID 129081754) is 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-N-methylacetamide.
What is the SMILES notation for 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-N-methylacetamide?
The canonical SMILES for 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-N-methylacetamide is CNC(=O)Cn1cc(F)c(=O)[nH]c1=O.
What is the InChIKey of 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-N-methylacetamide?
The InChIKey is FURALQMILXRRKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FN3O3/c1-9-5(12)3-11-2-4(8)6(13)10-7(11)14/h2H,3H2,1H3,(H,9,12)(H,10,13,14).
What are the key properties of 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-N-methylacetamide?
2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-N-methylacetamide has a molecular weight of 201.16 g/mol, XLogP of -1.58, 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-dioxopyrimidin-1-yl)-N-methylacetamide is sourced from PubChem (CID 129081754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).