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

C12H18FN3O3 — CID 12844138

IUPAC2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-N-hexylacetamide
SMILESCCCCCCNC(=O)Cn1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C12H18FN3O3/c1-2-3-4-5-6-14-10(17)8-16-7-9(13)11(18)15-12(16)19/h7H,2-6,8H2,1H3,(H,14,17)(H,15,18,19)
InChIKeyKSUKOZFJYZIGCN-UHFFFAOYSA-N
MW271.29 g/mol
LogP0.37
Rot. Bonds7

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

2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-N-hexylacetamide (PubChem CID 12844138) has the molecular formula C12H18FN3O3 and a molecular weight of 271.29 g/mol. Its IUPAC name is 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-N-hexylacetamide.

Molecular Properties

Compound Name2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-N-hexylacetamide
PubChem CID12844138
Molecular FormulaC12H18FN3O3
Molecular Weight271.29 g/mol
Exact Mass271.13
IUPAC Name2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-N-hexylacetamide
SMILESCCCCCCNC(=O)Cn1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C12H18FN3O3/c1-2-3-4-5-6-14-10(17)8-16-7-9(13)11(18)15-12(16)19/h7H,2-6,8H2,1H3,(H,14,17)(H,15,18,19)
InChIKeyKSUKOZFJYZIGCN-UHFFFAOYSA-N
XLogP0.37
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.29
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-N-hexylacetamide?
The IUPAC name of 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-N-hexylacetamide (CID 12844138) is 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-N-hexylacetamide.
What is the SMILES notation for 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-N-hexylacetamide?
The canonical SMILES for 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-N-hexylacetamide is CCCCCCNC(=O)Cn1cc(F)c(=O)[nH]c1=O.
What is the InChIKey of 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-N-hexylacetamide?
The InChIKey is KSUKOZFJYZIGCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3O3/c1-2-3-4-5-6-14-10(17)8-16-7-9(13)11(18)15-12(16)19/h7H,2-6,8H2,1H3,(H,14,17)(H,15,18,19).
What are the key properties of 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-N-hexylacetamide?
2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-N-hexylacetamide has a molecular weight of 271.29 g/mol, XLogP of 0.37, 7 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-hexylacetamide is sourced from PubChem (CID 12844138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).