5-fluoro-N-hexyl-3-(2-methylpropanoyl)-2,4-dioxopyrimidine-1-carboxamide

C15H22FN3O4 — CID 71655039

IUPAC5-fluoro-N-hexyl-3-(2-methylpropanoyl)-2,4-dioxopyrimidine-1-carboxamide
SMILESCCCCCCNC(=O)n1cc(F)c(=O)n(C(=O)C(C)C)c1=O
InChIInChI=1S/C15H22FN3O4/c1-4-5-6-7-8-17-14(22)18-9-11(16)13(21)19(15(18)23)12(20)10(2)3/h9-10H,4-8H2,1-3H3,(H,17,22)
InChIKeyHNHMKHUFPLLTMR-UHFFFAOYSA-N
MW327.36 g/mol
LogP1.58
Rot. Bonds6

About 5-fluoro-N-hexyl-3-(2-methylpropanoyl)-2,4-dioxopyrimidine-1-carboxamide

5-fluoro-N-hexyl-3-(2-methylpropanoyl)-2,4-dioxopyrimidine-1-carboxamide (PubChem CID 71655039) has the molecular formula C15H22FN3O4 and a molecular weight of 327.36 g/mol. Its IUPAC name is 5-fluoro-N-hexyl-3-(2-methylpropanoyl)-2,4-dioxopyrimidine-1-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-hexyl-3-(2-methylpropanoyl)-2,4-dioxopyrimidine-1-carboxamide
PubChem CID71655039
Molecular FormulaC15H22FN3O4
Molecular Weight327.36 g/mol
Exact Mass327.16
IUPAC Name5-fluoro-N-hexyl-3-(2-methylpropanoyl)-2,4-dioxopyrimidine-1-carboxamide
SMILESCCCCCCNC(=O)n1cc(F)c(=O)n(C(=O)C(C)C)c1=O
InChIInChI=1S/C15H22FN3O4/c1-4-5-6-7-8-17-14(22)18-9-11(16)13(21)19(15(18)23)12(20)10(2)3/h9-10H,4-8H2,1-3H3,(H,17,22)
InChIKeyHNHMKHUFPLLTMR-UHFFFAOYSA-N
XLogP1.58
TPSA90.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-fluoro-N-hexyl-3-(2-methylpropanoyl)-2,4-dioxopyrimidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-hexyl-3-(2-methylpropanoyl)-2,4-dioxopyrimidine-1-carboxamide?
The IUPAC name of 5-fluoro-N-hexyl-3-(2-methylpropanoyl)-2,4-dioxopyrimidine-1-carboxamide (CID 71655039) is 5-fluoro-N-hexyl-3-(2-methylpropanoyl)-2,4-dioxopyrimidine-1-carboxamide.
What is the SMILES notation for 5-fluoro-N-hexyl-3-(2-methylpropanoyl)-2,4-dioxopyrimidine-1-carboxamide?
The canonical SMILES for 5-fluoro-N-hexyl-3-(2-methylpropanoyl)-2,4-dioxopyrimidine-1-carboxamide is CCCCCCNC(=O)n1cc(F)c(=O)n(C(=O)C(C)C)c1=O.
What is the InChIKey of 5-fluoro-N-hexyl-3-(2-methylpropanoyl)-2,4-dioxopyrimidine-1-carboxamide?
The InChIKey is HNHMKHUFPLLTMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O4/c1-4-5-6-7-8-17-14(22)18-9-11(16)13(21)19(15(18)23)12(20)10(2)3/h9-10H,4-8H2,1-3H3,(H,17,22).
What are the key properties of 5-fluoro-N-hexyl-3-(2-methylpropanoyl)-2,4-dioxopyrimidine-1-carboxamide?
5-fluoro-N-hexyl-3-(2-methylpropanoyl)-2,4-dioxopyrimidine-1-carboxamide has a molecular weight of 327.36 g/mol, XLogP of 1.58, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-hexyl-3-(2-methylpropanoyl)-2,4-dioxopyrimidine-1-carboxamide is sourced from PubChem (CID 71655039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).