5-fluoro-N-(4-methylpentyl)-2,4-dioxopyrimidine-1-carboxamide

C11H16FN3O3 — CID 68650560

IUPAC5-fluoro-N-(4-methylpentyl)-2,4-dioxopyrimidine-1-carboxamide
SMILESCC(C)CCCNC(=O)n1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C11H16FN3O3/c1-7(2)4-3-5-13-10(17)15-6-8(12)9(16)14-11(15)18/h6-7H,3-5H2,1-2H3,(H,13,17)(H,14,16,18)
InChIKeyUSQXDWMOCKMQKN-UHFFFAOYSA-N
MW257.26 g/mol
LogP0.67
Rot. Bonds4

About 5-fluoro-N-(4-methylpentyl)-2,4-dioxopyrimidine-1-carboxamide

5-fluoro-N-(4-methylpentyl)-2,4-dioxopyrimidine-1-carboxamide (PubChem CID 68650560) has the molecular formula C11H16FN3O3 and a molecular weight of 257.26 g/mol. Its IUPAC name is 5-fluoro-N-(4-methylpentyl)-2,4-dioxopyrimidine-1-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-(4-methylpentyl)-2,4-dioxopyrimidine-1-carboxamide
PubChem CID68650560
Molecular FormulaC11H16FN3O3
Molecular Weight257.26 g/mol
Exact Mass257.12
IUPAC Name5-fluoro-N-(4-methylpentyl)-2,4-dioxopyrimidine-1-carboxamide
SMILESCC(C)CCCNC(=O)n1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C11H16FN3O3/c1-7(2)4-3-5-13-10(17)15-6-8(12)9(16)14-11(15)18/h6-7H,3-5H2,1-2H3,(H,13,17)(H,14,16,18)
InChIKeyUSQXDWMOCKMQKN-UHFFFAOYSA-N
XLogP0.67
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.26
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-fluoro-N-(4-methylpentyl)-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

Related Compounds

5-fluoro-2,4-dioxo-N-(5,5,6,6,6-pentadeuteriohexyl)pyrimidine-1-carboxamide
CID 53380026
ethane;5-fluoro-N-methyl-2,4-dioxopyrimidine-1-carboxamide
CID 145209845
N-[5-(2,5-dioxopyrrolidin-1-yl)pentyl]-5-fluoro-2,4-dioxopyrimidine-1-carboxamide
CID 20525065
ethyl acetate;5-fluoro-2,4-dioxo-N-propylpyrimidine-1-carboxamide
CID 175007671
N-[3-[(5-fluoro-2,4-dioxopyrimidine-1-carbonyl)amino]propyl]-5-methyl-1-(2-methylpropyl)indole-2-carboxamide
CID 177371913
5-fluoro-N-[2-(4-methoxycyclohexyl)ethyl]-2,4-dioxopyrimidine-1-carboxamide
CID 10757550
N-[2-(2-cyanoethylsulfanyl)ethyl]-5-fluoro-2,4-dioxopyrimidine-1-carboxamide
CID 20525088
5-fluoro-N-[(2-methoxyphenyl)methyl]-2,4-dioxopyrimidine-1-carboxamide
CID 10565627
N-(1-adamantylmethyl)-5-fluoro-2,4-dioxopyrimidine-1-carboxamide
CID 20525096
N-(1-cyclohexylethyl)-5-fluoro-2,4-dioxopyrimidine-1-carboxamide
CID 10540930
[1-(hexylcarbamoyl)-2,4-dioxopyrimidin-5-yl] acetate
CID 162654698
N-[(2,4-dimethoxycyclohexyl)methyl]-5-fluoro-2,4-dioxopyrimidine-1-carboxamide
CID 10830193

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-(4-methylpentyl)-2,4-dioxopyrimidine-1-carboxamide?
The IUPAC name of 5-fluoro-N-(4-methylpentyl)-2,4-dioxopyrimidine-1-carboxamide (CID 68650560) is 5-fluoro-N-(4-methylpentyl)-2,4-dioxopyrimidine-1-carboxamide.
What is the SMILES notation for 5-fluoro-N-(4-methylpentyl)-2,4-dioxopyrimidine-1-carboxamide?
The canonical SMILES for 5-fluoro-N-(4-methylpentyl)-2,4-dioxopyrimidine-1-carboxamide is CC(C)CCCNC(=O)n1cc(F)c(=O)[nH]c1=O.
What is the InChIKey of 5-fluoro-N-(4-methylpentyl)-2,4-dioxopyrimidine-1-carboxamide?
The InChIKey is USQXDWMOCKMQKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O3/c1-7(2)4-3-5-13-10(17)15-6-8(12)9(16)14-11(15)18/h6-7H,3-5H2,1-2H3,(H,13,17)(H,14,16,18).
What are the key properties of 5-fluoro-N-(4-methylpentyl)-2,4-dioxopyrimidine-1-carboxamide?
5-fluoro-N-(4-methylpentyl)-2,4-dioxopyrimidine-1-carboxamide has a molecular weight of 257.26 g/mol, XLogP of 0.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-(4-methylpentyl)-2,4-dioxopyrimidine-1-carboxamide is sourced from PubChem (CID 68650560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).