1-cyclobutyl-5-(4-fluorophenyl)-1,3-diazinane-2,4,6-trione

C14H13FN2O3 — CID 115948037

IUPAC1-cyclobutyl-5-(4-fluorophenyl)-1,3-diazinane-2,4,6-trione
SMILESO=C1NC(=O)N(C2CCC2)C(=O)C1c1ccc(F)cc1
InChIInChI=1S/C14H13FN2O3/c15-9-6-4-8(5-7-9)11-12(18)16-14(20)17(13(11)19)10-2-1-3-10/h4-7,10-11H,1-3H2,(H,16,18,20)
InChIKeyISMWGBHJYAQQPV-UHFFFAOYSA-N
MW276.27 g/mol
LogP1.54
Rot. Bonds2

About 1-cyclobutyl-5-(4-fluorophenyl)-1,3-diazinane-2,4,6-trione

1-cyclobutyl-5-(4-fluorophenyl)-1,3-diazinane-2,4,6-trione (PubChem CID 115948037) has the molecular formula C14H13FN2O3 and a molecular weight of 276.27 g/mol. Its IUPAC name is 1-cyclobutyl-5-(4-fluorophenyl)-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1-cyclobutyl-5-(4-fluorophenyl)-1,3-diazinane-2,4,6-trione
PubChem CID115948037
Molecular FormulaC14H13FN2O3
Molecular Weight276.27 g/mol
Exact Mass276.09
IUPAC Name1-cyclobutyl-5-(4-fluorophenyl)-1,3-diazinane-2,4,6-trione
SMILESO=C1NC(=O)N(C2CCC2)C(=O)C1c1ccc(F)cc1
InChIInChI=1S/C14H13FN2O3/c15-9-6-4-8(5-7-9)11-12(18)16-14(20)17(13(11)19)10-2-1-3-10/h4-7,10-11H,1-3H2,(H,16,18,20)
InChIKeyISMWGBHJYAQQPV-UHFFFAOYSA-N
XLogP1.54
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.27
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

5-(4-fluorophenyl)-1-prop-2-enyl-1,3-diazinane-2,4,6-trione
CID 112599479
2-(1-aminocyclopentyl)-5-(4-fluorophenyl)-1H-pyrimidine-4,6-dione
CID 79488225
1-[2-(dimethylamino)ethyl]-5-(4-fluorophenyl)-1,3-diazinane-2,4,6-trione
CID 115946042
5-(4-fluorophenyl)-1-(3-methylbut-2-enyl)-1,3-diazinane-2,4,6-trione
CID 106185830
1,5-dicyclopentyl-1,3-diazinane-2,4,6-trione
CID 112598446
methyl 2-[5-(4-fluorophenyl)-2,4,6-trioxo-1,3-diazinan-1-yl]acetate
CID 115945837
10-cyclopropyl-9-(4-fluorophenyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione
CID 11668641
3,3-dichloro-1-cyclohexyl-2-(4-fluorophenyl)azetidine
CID 135050209
3-cyclopentyl-2-(4-fluorophenyl)-5-methylimidazolidin-4-one
CID 83241955
(3R)-3-amino-1-cyclopentyl-5-fluoro-3H-indol-2-one
CID 51441516
(3S)-3-amino-1-cyclopentyl-5-fluoro-3H-indol-2-one
CID 98081143
1-methyl-5-(4-methylphenyl)-1,3-diazinane-2,4,6-trione
CID 112598766

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-5-(4-fluorophenyl)-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1-cyclobutyl-5-(4-fluorophenyl)-1,3-diazinane-2,4,6-trione (CID 115948037) is 1-cyclobutyl-5-(4-fluorophenyl)-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1-cyclobutyl-5-(4-fluorophenyl)-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1-cyclobutyl-5-(4-fluorophenyl)-1,3-diazinane-2,4,6-trione is O=C1NC(=O)N(C2CCC2)C(=O)C1c1ccc(F)cc1.
What is the InChIKey of 1-cyclobutyl-5-(4-fluorophenyl)-1,3-diazinane-2,4,6-trione?
The InChIKey is ISMWGBHJYAQQPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O3/c15-9-6-4-8(5-7-9)11-12(18)16-14(20)17(13(11)19)10-2-1-3-10/h4-7,10-11H,1-3H2,(H,16,18,20).
What are the key properties of 1-cyclobutyl-5-(4-fluorophenyl)-1,3-diazinane-2,4,6-trione?
1-cyclobutyl-5-(4-fluorophenyl)-1,3-diazinane-2,4,6-trione has a molecular weight of 276.27 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-5-(4-fluorophenyl)-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 115948037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).