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

C11H16FN3O3 — CID 2577

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IUPAC5-fluoro-N-hexyl-2,4-dioxopyrimidine-1-carboxamide
SMILESCCCCCCNC(=O)n1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C11H16FN3O3/c1-2-3-4-5-6-13-10(17)15-7-8(12)9(16)14-11(15)18/h7H,2-6H2,1H3,(H,13,17)(H,14,16,18)
InChIKeyAOCCBINRVIKJHY-UHFFFAOYSA-N
MW257.26 g/mol
LogP0.81
Rot. Bonds5

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

5-fluoro-N-hexyl-2,4-dioxopyrimidine-1-carboxamide (PubChem CID 2577) has the molecular formula C11H16FN3O3 and a molecular weight of 257.26 g/mol. Its IUPAC name is 5-fluoro-N-hexyl-2,4-dioxopyrimidine-1-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-hexyl-2,4-dioxopyrimidine-1-carboxamide
PubChem CID2577
Molecular FormulaC11H16FN3O3
Molecular Weight257.26 g/mol
Exact Mass257.12
IUPAC Name5-fluoro-N-hexyl-2,4-dioxopyrimidine-1-carboxamide
SMILESCCCCCCNC(=O)n1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C11H16FN3O3/c1-2-3-4-5-6-13-10(17)15-7-8(12)9(16)14-11(15)18/h7H,2-6H2,1H3,(H,13,17)(H,14,16,18)
InChIKeyAOCCBINRVIKJHY-UHFFFAOYSA-N
XLogP0.81
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.26
LogP ≤ 50.81
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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Related Compounds

6-Hexylamino-1H-pyrimidine-2,4-dione
CID 44349321
1(2H)-Pyrimidinecarboxamide, 5-fluoro-3,4-dihydro-N-octyl-2,4-dioxo-
CID 116543
6-(heptylamino)-1H-pyrimidine-2,4-dione
CID 146025740
N-hexyl-2,4-dioxo-pyrimidine-1-carboxamide
CID 10198639
N-hexyl-5-iodo-2,4-dioxopyrimidine-1-carboxamide
CID 71654891
5-bromo-N-hexyl-2,4-dioxo-pyrimidine-1-carboxamide
CID 71654962
5-fluoro-N-hexyl-3-methyl-2,4-dioxopyrimidine-1-carboxamide
CID 71654966
N-hexyl-3-methyl-2,4-dioxopyrimidine-1-carboxamide
CID 71654967
3-ethyl-5-fluoro-N-hexyl-2,4-dioxopyrimidine-1-carboxamide
CID 71654968
3-(cyclopropylmethyl)-5-fluoro-N-hexyl-2,4-dioxopyrimidine-1-carboxamide
CID 71654969
5-fluoro-N-hexyl-3-(2-methylpropanoyl)-2,4-dioxopyrimidine-1-carboxamide
CID 71655039
Methyl 5-fluoro-3-(hexylcarbamoyl)-2,6-dioxo-3,6-dihydro-1(2H)-pyrimidinecarboxylate
CID 71655040

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-hexyl-2,4-dioxopyrimidine-1-carboxamide?
The IUPAC name of 5-fluoro-N-hexyl-2,4-dioxopyrimidine-1-carboxamide (CID 2577) is 5-fluoro-N-hexyl-2,4-dioxopyrimidine-1-carboxamide.
What is the SMILES notation for 5-fluoro-N-hexyl-2,4-dioxopyrimidine-1-carboxamide?
The canonical SMILES for 5-fluoro-N-hexyl-2,4-dioxopyrimidine-1-carboxamide is CCCCCCNC(=O)n1cc(F)c(=O)[nH]c1=O.
What is the InChIKey of 5-fluoro-N-hexyl-2,4-dioxopyrimidine-1-carboxamide?
The InChIKey is AOCCBINRVIKJHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O3/c1-2-3-4-5-6-13-10(17)15-7-8(12)9(16)14-11(15)18/h7H,2-6H2,1H3,(H,13,17)(H,14,16,18).
What are the key properties of 5-fluoro-N-hexyl-2,4-dioxopyrimidine-1-carboxamide?
5-fluoro-N-hexyl-2,4-dioxopyrimidine-1-carboxamide has a molecular weight of 257.26 g/mol, XLogP of 0.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-hexyl-2,4-dioxopyrimidine-1-carboxamide is sourced from PubChem (CID 2577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).