5-(4-bromobut-3-enoxymethyl)-1H-pyrimidine-2,4-dione

C9H11BrN2O3 — CID 173248084

IUPAC5-(4-bromobut-3-enoxymethyl)-1H-pyrimidine-2,4-dione
SMILESC1=C(C(=O)NC(=O)N1)COCCC=CBr
InChIInChI=1S/C9H11BrN2O3/c10-3-1-2-4-15-6-7-5-11-9(14)12-8(7)13/h1,3,5H,2,4,6H2,(H2,11,12,13,14)
InChIKeyVRFIQTSRQBWREU-UHFFFAOYSA-N
MW275.10 g/mol
LogP-0.50
Rot. Bonds5

About 5-(4-bromobut-3-enoxymethyl)-1H-pyrimidine-2,4-dione

5-(4-bromobut-3-enoxymethyl)-1H-pyrimidine-2,4-dione (PubChem CID 173248084) has the molecular formula C9H11BrN2O3 and a molecular weight of 275.10 g/mol. Its IUPAC name is 5-(4-bromobut-3-enoxymethyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(4-bromobut-3-enoxymethyl)-1H-pyrimidine-2,4-dione
PubChem CID173248084
Molecular FormulaC9H11BrN2O3
Molecular Weight275.10 g/mol
Exact Mass274.00
IUPAC Name5-(4-bromobut-3-enoxymethyl)-1H-pyrimidine-2,4-dione
SMILESC1=C(C(=O)NC(=O)N1)COCCC=CBr
InChIInChI=1S/C9H11BrN2O3/c10-3-1-2-4-15-6-7-5-11-9(14)12-8(7)13/h1,3,5H,2,4,6H2,(H2,11,12,13,14)
InChIKeyVRFIQTSRQBWREU-UHFFFAOYSA-N
XLogP-0.50
TPSA67.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity312

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.10
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-(4-bromobut-3-enoxymethyl)-1H-pyrimidine-2,4-dione 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-(2-bromo-1-methoxyethyl)-1H-pyrimidine-2,4-dione
CID 19802312
5-[1-(2-bromoethoxy)-2-iodoethyl]-1H-pyrimidine-2,4-dione
CID 46915075
5-(propoxymethyl)-1H-pyrimidine-2,4-dione
CID 3116144
(2,4-dioxo-1H-pyrimidin-5-yl)methyl prop-2-enoate
CID 67255423
5-(3-bromobut-3-enoxymethyl)-1H-pyrimidine-2,4-dione
CID 88115696
5-(3-aminopropoxymethyl)-1H-pyrimidine-2,4-dione
CID 142755640

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromobut-3-enoxymethyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-(4-bromobut-3-enoxymethyl)-1H-pyrimidine-2,4-dione (CID 173248084) is 5-(4-bromobut-3-enoxymethyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-(4-bromobut-3-enoxymethyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-(4-bromobut-3-enoxymethyl)-1H-pyrimidine-2,4-dione is C1=C(C(=O)NC(=O)N1)COCCC=CBr.
What is the InChIKey of 5-(4-bromobut-3-enoxymethyl)-1H-pyrimidine-2,4-dione?
The InChIKey is VRFIQTSRQBWREU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2O3/c10-3-1-2-4-15-6-7-5-11-9(14)12-8(7)13/h1,3,5H,2,4,6H2,(H2,11,12,13,14).
What are the key properties of 5-(4-bromobut-3-enoxymethyl)-1H-pyrimidine-2,4-dione?
5-(4-bromobut-3-enoxymethyl)-1H-pyrimidine-2,4-dione has a molecular weight of 275.10 g/mol, XLogP of -0.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromobut-3-enoxymethyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 173248084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).