5-fluoro-3-hexyl-2,6-dioxopyrimidine-1-carboxamide

C11H16FN3O3 — CID 67847551

IUPAC5-fluoro-3-hexyl-2,6-dioxopyrimidine-1-carboxamide
SMILESCCCCCCn1cc(F)c(=O)n(C(N)=O)c1=O
InChIInChI=1S/C11H16FN3O3/c1-2-3-4-5-6-14-7-8(12)9(16)15(10(13)17)11(14)18/h7H,2-6H2,1H3,(H2,13,17)
InChIKeyBICOBBGQDMGTDS-UHFFFAOYSA-N
MW257.26 g/mol
LogP0.66
Rot. Bonds5

About 5-fluoro-3-hexyl-2,6-dioxopyrimidine-1-carboxamide

5-fluoro-3-hexyl-2,6-dioxopyrimidine-1-carboxamide (PubChem CID 67847551) has the molecular formula C11H16FN3O3 and a molecular weight of 257.26 g/mol. Its IUPAC name is 5-fluoro-3-hexyl-2,6-dioxopyrimidine-1-carboxamide.

Molecular Properties

Compound Name5-fluoro-3-hexyl-2,6-dioxopyrimidine-1-carboxamide
PubChem CID67847551
Molecular FormulaC11H16FN3O3
Molecular Weight257.26 g/mol
Exact Mass257.12
IUPAC Name5-fluoro-3-hexyl-2,6-dioxopyrimidine-1-carboxamide
SMILESCCCCCCn1cc(F)c(=O)n(C(N)=O)c1=O
InChIInChI=1S/C11H16FN3O3/c1-2-3-4-5-6-14-7-8(12)9(16)15(10(13)17)11(14)18/h7H,2-6H2,1H3,(H2,13,17)
InChIKeyBICOBBGQDMGTDS-UHFFFAOYSA-N
XLogP0.66
TPSA87.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.26
LogP ≤ 50.66
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 5-fluoro-3-hexyl-2,6-dioxopyrimidine-1-carboxamide?
The IUPAC name of 5-fluoro-3-hexyl-2,6-dioxopyrimidine-1-carboxamide (CID 67847551) is 5-fluoro-3-hexyl-2,6-dioxopyrimidine-1-carboxamide.
What is the SMILES notation for 5-fluoro-3-hexyl-2,6-dioxopyrimidine-1-carboxamide?
The canonical SMILES for 5-fluoro-3-hexyl-2,6-dioxopyrimidine-1-carboxamide is CCCCCCn1cc(F)c(=O)n(C(N)=O)c1=O.
What is the InChIKey of 5-fluoro-3-hexyl-2,6-dioxopyrimidine-1-carboxamide?
The InChIKey is BICOBBGQDMGTDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O3/c1-2-3-4-5-6-14-7-8(12)9(16)15(10(13)17)11(14)18/h7H,2-6H2,1H3,(H2,13,17).
What are the key properties of 5-fluoro-3-hexyl-2,6-dioxopyrimidine-1-carboxamide?
5-fluoro-3-hexyl-2,6-dioxopyrimidine-1-carboxamide has a molecular weight of 257.26 g/mol, XLogP of 0.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-hexyl-2,6-dioxopyrimidine-1-carboxamide is sourced from PubChem (CID 67847551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).