5-bromo-1,6-dimethyl-3-propoxypyrimidine-2,4-dione

C9H13BrN2O3 — CID 23274190

IUPAC5-bromo-1,6-dimethyl-3-propoxypyrimidine-2,4-dione
SMILESCCCOn1c(=O)c(Br)c(C)n(C)c1=O
InChIInChI=1S/C9H13BrN2O3/c1-4-5-15-12-8(13)7(10)6(2)11(3)9(12)14/h4-5H2,1-3H3
InChIKeyONXRDUXTRMMWCQ-UHFFFAOYSA-N
MW277.12 g/mol
LogP0.46
Rot. Bonds3

About 5-bromo-1,6-dimethyl-3-propoxypyrimidine-2,4-dione

5-bromo-1,6-dimethyl-3-propoxypyrimidine-2,4-dione (PubChem CID 23274190) has the molecular formula C9H13BrN2O3 and a molecular weight of 277.12 g/mol. Its IUPAC name is 5-bromo-1,6-dimethyl-3-propoxypyrimidine-2,4-dione.

Molecular Properties

Compound Name5-bromo-1,6-dimethyl-3-propoxypyrimidine-2,4-dione
PubChem CID23274190
Molecular FormulaC9H13BrN2O3
Molecular Weight277.12 g/mol
Exact Mass276.01
IUPAC Name5-bromo-1,6-dimethyl-3-propoxypyrimidine-2,4-dione
SMILESCCCOn1c(=O)c(Br)c(C)n(C)c1=O
InChIInChI=1S/C9H13BrN2O3/c1-4-5-15-12-8(13)7(10)6(2)11(3)9(12)14/h4-5H2,1-3H3
InChIKeyONXRDUXTRMMWCQ-UHFFFAOYSA-N
XLogP0.46
TPSA53.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.12
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-bromo-1,6-dimethyl-3-propoxypyrimidine-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-1,6-dimethyl-3-propoxypyrimidine-2,4-dione?
The IUPAC name of 5-bromo-1,6-dimethyl-3-propoxypyrimidine-2,4-dione (CID 23274190) is 5-bromo-1,6-dimethyl-3-propoxypyrimidine-2,4-dione.
What is the SMILES notation for 5-bromo-1,6-dimethyl-3-propoxypyrimidine-2,4-dione?
The canonical SMILES for 5-bromo-1,6-dimethyl-3-propoxypyrimidine-2,4-dione is CCCOn1c(=O)c(Br)c(C)n(C)c1=O.
What is the InChIKey of 5-bromo-1,6-dimethyl-3-propoxypyrimidine-2,4-dione?
The InChIKey is ONXRDUXTRMMWCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2O3/c1-4-5-15-12-8(13)7(10)6(2)11(3)9(12)14/h4-5H2,1-3H3.
What are the key properties of 5-bromo-1,6-dimethyl-3-propoxypyrimidine-2,4-dione?
5-bromo-1,6-dimethyl-3-propoxypyrimidine-2,4-dione has a molecular weight of 277.12 g/mol, XLogP of 0.46, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1,6-dimethyl-3-propoxypyrimidine-2,4-dione is sourced from PubChem (CID 23274190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).