5-(2-bromopropyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione

C10H13BrN2O3 — CID 24188

IUPAC5-(2-bromopropyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
SMILESC=CCC1(CC(C)Br)C(=O)NC(=O)NC1=O
InChIInChI=1S/C10H13BrN2O3/c1-3-4-10(5-6(2)11)7(14)12-9(16)13-8(10)15/h3,6H,1,4-5H2,2H3,(H2,12,13,14,15,16)
InChIKeyBAKVDLKQRKBRFZ-UHFFFAOYSA-N
MW289.13 g/mol
LogP1.09
Rot. Bonds4

About 5-(2-bromopropyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione

5-(2-bromopropyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione (PubChem CID 24188) has the molecular formula C10H13BrN2O3 and a molecular weight of 289.13 g/mol. Its IUPAC name is 5-(2-bromopropyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-(2-bromopropyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
PubChem CID24188
Molecular FormulaC10H13BrN2O3
Molecular Weight289.13 g/mol
Exact Mass288.01
IUPAC Name5-(2-bromopropyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
SMILESC=CCC1(CC(C)Br)C(=O)NC(=O)NC1=O
InChIInChI=1S/C10H13BrN2O3/c1-3-4-10(5-6(2)11)7(14)12-9(16)13-8(10)15/h3,6H,1,4-5H2,2H3,(H2,12,13,14,15,16)
InChIKeyBAKVDLKQRKBRFZ-UHFFFAOYSA-N
XLogP1.09
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.13
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-(2-bromopropyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione 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

Talbutal
CID 8275
Butalbital
CID 2481
2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-(2-propenyl)-
CID 48542
Propallylonal
CID 11020
5-(2-Bromo-2-propen-1-yl)-5-(1-methylpropyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
CID 14362
2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-butyl-5-(2-propenyl)-
CID 48522
Brallobarbital
CID 68416
Nealbarbital
CID 521716
Barbituric acid, 5-(2-bromoallyl)-5-propyl-
CID 56167
Barbituric acid, 5-isopropenyl-5-propyl-
CID 49307
Barbituric acid, 5-butyl-5-vinyl-
CID 49246
Sodium 5-(2-methylpropyl)-5-prop-2-enylpyrimidin-3-ide-2,4,6-trione
CID 14148200

Frequently Asked Questions

What is the IUPAC name of 5-(2-bromopropyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-(2-bromopropyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione (CID 24188) is 5-(2-bromopropyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-(2-bromopropyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-(2-bromopropyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione is C=CCC1(CC(C)Br)C(=O)NC(=O)NC1=O.
What is the InChIKey of 5-(2-bromopropyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione?
The InChIKey is BAKVDLKQRKBRFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O3/c1-3-4-10(5-6(2)11)7(14)12-9(16)13-8(10)15/h3,6H,1,4-5H2,2H3,(H2,12,13,14,15,16).
What are the key properties of 5-(2-bromopropyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione?
5-(2-bromopropyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione has a molecular weight of 289.13 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromopropyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 24188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).