5-fluoro-N-[2-(methylamino)-2-oxoethyl]-2,4-dioxopyrimidine-1-carboxamide

C8H9FN4O4 — CID 129081755

IUPAC5-fluoro-N-[2-(methylamino)-2-oxoethyl]-2,4-dioxopyrimidine-1-carboxamide
SMILESCNC(=O)CNC(=O)n1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C8H9FN4O4/c1-10-5(14)2-11-7(16)13-3-4(9)6(15)12-8(13)17/h3H,2H2,1H3,(H,10,14)(H,11,16)(H,12,15,17)
InChIKeyJBRNUYBKFQOEBG-UHFFFAOYSA-N
MW244.18 g/mol
LogP-2.02
Rot. Bonds2

About 5-fluoro-N-[2-(methylamino)-2-oxoethyl]-2,4-dioxopyrimidine-1-carboxamide

5-fluoro-N-[2-(methylamino)-2-oxoethyl]-2,4-dioxopyrimidine-1-carboxamide (PubChem CID 129081755) has the molecular formula C8H9FN4O4 and a molecular weight of 244.18 g/mol. Its IUPAC name is 5-fluoro-N-[2-(methylamino)-2-oxoethyl]-2,4-dioxopyrimidine-1-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-[2-(methylamino)-2-oxoethyl]-2,4-dioxopyrimidine-1-carboxamide
PubChem CID129081755
Molecular FormulaC8H9FN4O4
Molecular Weight244.18 g/mol
Exact Mass244.06
IUPAC Name5-fluoro-N-[2-(methylamino)-2-oxoethyl]-2,4-dioxopyrimidine-1-carboxamide
SMILESCNC(=O)CNC(=O)n1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C8H9FN4O4/c1-10-5(14)2-11-7(16)13-3-4(9)6(15)12-8(13)17/h3H,2H2,1H3,(H,10,14)(H,11,16)(H,12,15,17)
InChIKeyJBRNUYBKFQOEBG-UHFFFAOYSA-N
XLogP-2.02
TPSA113.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.18
LogP ≤ 5-2.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[2-(methylamino)-2-oxoethyl]-2,4-dioxopyrimidine-1-carboxamide?
The IUPAC name of 5-fluoro-N-[2-(methylamino)-2-oxoethyl]-2,4-dioxopyrimidine-1-carboxamide (CID 129081755) is 5-fluoro-N-[2-(methylamino)-2-oxoethyl]-2,4-dioxopyrimidine-1-carboxamide.
What is the SMILES notation for 5-fluoro-N-[2-(methylamino)-2-oxoethyl]-2,4-dioxopyrimidine-1-carboxamide?
The canonical SMILES for 5-fluoro-N-[2-(methylamino)-2-oxoethyl]-2,4-dioxopyrimidine-1-carboxamide is CNC(=O)CNC(=O)n1cc(F)c(=O)[nH]c1=O.
What is the InChIKey of 5-fluoro-N-[2-(methylamino)-2-oxoethyl]-2,4-dioxopyrimidine-1-carboxamide?
The InChIKey is JBRNUYBKFQOEBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN4O4/c1-10-5(14)2-11-7(16)13-3-4(9)6(15)12-8(13)17/h3H,2H2,1H3,(H,10,14)(H,11,16)(H,12,15,17).
What are the key properties of 5-fluoro-N-[2-(methylamino)-2-oxoethyl]-2,4-dioxopyrimidine-1-carboxamide?
5-fluoro-N-[2-(methylamino)-2-oxoethyl]-2,4-dioxopyrimidine-1-carboxamide has a molecular weight of 244.18 g/mol, XLogP of -2.02, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[2-(methylamino)-2-oxoethyl]-2,4-dioxopyrimidine-1-carboxamide is sourced from PubChem (CID 129081755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).