5-bromo-1-(oxolan-2-yl)pyrimidine-2,4-dione

C8H9BrN2O3 — CID 2982085

IUPAC5-bromo-1-(oxolan-2-yl)pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(C2CCCO2)cc1Br
InChIInChI=1S/C8H9BrN2O3/c9-5-4-11(6-2-1-3-14-6)8(13)10-7(5)12/h4,6H,1-3H2,(H,10,12,13)
InChIKeyBXYIIBLEKYIHBE-UHFFFAOYSA-N
MW261.07 g/mol
LogP0.61
Rot. Bonds1

About 5-bromo-1-(oxolan-2-yl)pyrimidine-2,4-dione

5-bromo-1-(oxolan-2-yl)pyrimidine-2,4-dione (PubChem CID 2982085) has the molecular formula C8H9BrN2O3 and a molecular weight of 261.07 g/mol. Its IUPAC name is 5-bromo-1-(oxolan-2-yl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-bromo-1-(oxolan-2-yl)pyrimidine-2,4-dione
PubChem CID2982085
Molecular FormulaC8H9BrN2O3
Molecular Weight261.07 g/mol
Exact Mass259.98
IUPAC Name5-bromo-1-(oxolan-2-yl)pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(C2CCCO2)cc1Br
InChIInChI=1S/C8H9BrN2O3/c9-5-4-11(6-2-1-3-14-6)8(13)10-7(5)12/h4,6H,1-3H2,(H,10,12,13)
InChIKeyBXYIIBLEKYIHBE-UHFFFAOYSA-N
XLogP0.61
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.07
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-bromo-1-(oxolan-2-yl)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

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(oxolan-2-yl)pyrimidine-2,4-dione?
The IUPAC name of 5-bromo-1-(oxolan-2-yl)pyrimidine-2,4-dione (CID 2982085) is 5-bromo-1-(oxolan-2-yl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-bromo-1-(oxolan-2-yl)pyrimidine-2,4-dione?
The canonical SMILES for 5-bromo-1-(oxolan-2-yl)pyrimidine-2,4-dione is O=c1[nH]c(=O)n(C2CCCO2)cc1Br.
What is the InChIKey of 5-bromo-1-(oxolan-2-yl)pyrimidine-2,4-dione?
The InChIKey is BXYIIBLEKYIHBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN2O3/c9-5-4-11(6-2-1-3-14-6)8(13)10-7(5)12/h4,6H,1-3H2,(H,10,12,13).
What are the key properties of 5-bromo-1-(oxolan-2-yl)pyrimidine-2,4-dione?
5-bromo-1-(oxolan-2-yl)pyrimidine-2,4-dione has a molecular weight of 261.07 g/mol, XLogP of 0.61, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-(oxolan-2-yl)pyrimidine-2,4-dione is sourced from PubChem (CID 2982085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).