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

C12H18FN3O3 — CID 71654966

IUPAC5-fluoro-N-hexyl-3-methyl-2,4-dioxopyrimidine-1-carboxamide
SMILESCCCCCCNC(=O)n1cc(F)c(=O)n(C)c1=O
InChIInChI=1S/C12H18FN3O3/c1-3-4-5-6-7-14-11(18)16-8-9(13)10(17)15(2)12(16)19/h8H,3-7H2,1-2H3,(H,14,18)
InChIKeyUIRPYMKPNKAPPJ-UHFFFAOYSA-N
MW271.29 g/mol
LogP0.82
Rot. Bonds5

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

5-fluoro-N-hexyl-3-methyl-2,4-dioxopyrimidine-1-carboxamide (PubChem CID 71654966) has the molecular formula C12H18FN3O3 and a molecular weight of 271.29 g/mol. Its IUPAC name is 5-fluoro-N-hexyl-3-methyl-2,4-dioxopyrimidine-1-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-hexyl-3-methyl-2,4-dioxopyrimidine-1-carboxamide
PubChem CID71654966
Molecular FormulaC12H18FN3O3
Molecular Weight271.29 g/mol
Exact Mass271.13
IUPAC Name5-fluoro-N-hexyl-3-methyl-2,4-dioxopyrimidine-1-carboxamide
SMILESCCCCCCNC(=O)n1cc(F)c(=O)n(C)c1=O
InChIInChI=1S/C12H18FN3O3/c1-3-4-5-6-7-14-11(18)16-8-9(13)10(17)15(2)12(16)19/h8H,3-7H2,1-2H3,(H,14,18)
InChIKeyUIRPYMKPNKAPPJ-UHFFFAOYSA-N
XLogP0.82
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.29
LogP ≤ 50.82
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-N-hexyl-3-methyl-2,4-dioxopyrimidine-1-carboxamide?
The IUPAC name of 5-fluoro-N-hexyl-3-methyl-2,4-dioxopyrimidine-1-carboxamide (CID 71654966) is 5-fluoro-N-hexyl-3-methyl-2,4-dioxopyrimidine-1-carboxamide.
What is the SMILES notation for 5-fluoro-N-hexyl-3-methyl-2,4-dioxopyrimidine-1-carboxamide?
The canonical SMILES for 5-fluoro-N-hexyl-3-methyl-2,4-dioxopyrimidine-1-carboxamide is CCCCCCNC(=O)n1cc(F)c(=O)n(C)c1=O.
What is the InChIKey of 5-fluoro-N-hexyl-3-methyl-2,4-dioxopyrimidine-1-carboxamide?
The InChIKey is UIRPYMKPNKAPPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3O3/c1-3-4-5-6-7-14-11(18)16-8-9(13)10(17)15(2)12(16)19/h8H,3-7H2,1-2H3,(H,14,18).
What are the key properties of 5-fluoro-N-hexyl-3-methyl-2,4-dioxopyrimidine-1-carboxamide?
5-fluoro-N-hexyl-3-methyl-2,4-dioxopyrimidine-1-carboxamide has a molecular weight of 271.29 g/mol, XLogP of 0.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-hexyl-3-methyl-2,4-dioxopyrimidine-1-carboxamide is sourced from PubChem (CID 71654966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).