3-ethyl-5-fluoro-N-hexyl-2,4-dioxopyrimidine-1-carboxamide

C13H20FN3O3 — CID 71654968

IUPAC3-ethyl-5-fluoro-N-hexyl-2,4-dioxopyrimidine-1-carboxamide
SMILESCCCCCCNC(=O)n1cc(F)c(=O)n(CC)c1=O
InChIInChI=1S/C13H20FN3O3/c1-3-5-6-7-8-15-12(19)17-9-10(14)11(18)16(4-2)13(17)20/h9H,3-8H2,1-2H3,(H,15,19)
InChIKeyHGQGETJKBGEZSI-UHFFFAOYSA-N
MW285.32 g/mol
LogP1.31
Rot. Bonds6

About 3-ethyl-5-fluoro-N-hexyl-2,4-dioxopyrimidine-1-carboxamide

3-ethyl-5-fluoro-N-hexyl-2,4-dioxopyrimidine-1-carboxamide (PubChem CID 71654968) has the molecular formula C13H20FN3O3 and a molecular weight of 285.32 g/mol. Its IUPAC name is 3-ethyl-5-fluoro-N-hexyl-2,4-dioxopyrimidine-1-carboxamide.

Molecular Properties

Compound Name3-ethyl-5-fluoro-N-hexyl-2,4-dioxopyrimidine-1-carboxamide
PubChem CID71654968
Molecular FormulaC13H20FN3O3
Molecular Weight285.32 g/mol
Exact Mass285.15
IUPAC Name3-ethyl-5-fluoro-N-hexyl-2,4-dioxopyrimidine-1-carboxamide
SMILESCCCCCCNC(=O)n1cc(F)c(=O)n(CC)c1=O
InChIInChI=1S/C13H20FN3O3/c1-3-5-6-7-8-15-12(19)17-9-10(14)11(18)16(4-2)13(17)20/h9H,3-8H2,1-2H3,(H,15,19)
InChIKeyHGQGETJKBGEZSI-UHFFFAOYSA-N
XLogP1.31
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-fluoro-N-hexyl-2,4-dioxopyrimidine-1-carboxamide?
The IUPAC name of 3-ethyl-5-fluoro-N-hexyl-2,4-dioxopyrimidine-1-carboxamide (CID 71654968) is 3-ethyl-5-fluoro-N-hexyl-2,4-dioxopyrimidine-1-carboxamide.
What is the SMILES notation for 3-ethyl-5-fluoro-N-hexyl-2,4-dioxopyrimidine-1-carboxamide?
The canonical SMILES for 3-ethyl-5-fluoro-N-hexyl-2,4-dioxopyrimidine-1-carboxamide is CCCCCCNC(=O)n1cc(F)c(=O)n(CC)c1=O.
What is the InChIKey of 3-ethyl-5-fluoro-N-hexyl-2,4-dioxopyrimidine-1-carboxamide?
The InChIKey is HGQGETJKBGEZSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN3O3/c1-3-5-6-7-8-15-12(19)17-9-10(14)11(18)16(4-2)13(17)20/h9H,3-8H2,1-2H3,(H,15,19).
What are the key properties of 3-ethyl-5-fluoro-N-hexyl-2,4-dioxopyrimidine-1-carboxamide?
3-ethyl-5-fluoro-N-hexyl-2,4-dioxopyrimidine-1-carboxamide has a molecular weight of 285.32 g/mol, XLogP of 1.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-fluoro-N-hexyl-2,4-dioxopyrimidine-1-carboxamide is sourced from PubChem (CID 71654968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).