1-(4-bromobutyl)-3,6-dimethylpyrimidine-2,4-dione

C10H15BrN2O2 — CID 2783723

IUPAC1-(4-bromobutyl)-3,6-dimethylpyrimidine-2,4-dione
SMILESCc1cc(=O)n(C)c(=O)n1CCCCBr
InChIInChI=1S/C10H15BrN2O2/c1-8-7-9(14)12(2)10(15)13(8)6-4-3-5-11/h7H,3-6H2,1-2H3
InChIKeyZIVCNHYTBURYPE-UHFFFAOYSA-N
MW275.15 g/mol
LogP1.03
Rot. Bonds4

About 1-(4-bromobutyl)-3,6-dimethylpyrimidine-2,4-dione

1-(4-bromobutyl)-3,6-dimethylpyrimidine-2,4-dione (PubChem CID 2783723) has the molecular formula C10H15BrN2O2 and a molecular weight of 275.15 g/mol. Its IUPAC name is 1-(4-bromobutyl)-3,6-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(4-bromobutyl)-3,6-dimethylpyrimidine-2,4-dione
PubChem CID2783723
Molecular FormulaC10H15BrN2O2
Molecular Weight275.15 g/mol
Exact Mass274.03
IUPAC Name1-(4-bromobutyl)-3,6-dimethylpyrimidine-2,4-dione
SMILESCc1cc(=O)n(C)c(=O)n1CCCCBr
InChIInChI=1S/C10H15BrN2O2/c1-8-7-9(14)12(2)10(15)13(8)6-4-3-5-11/h7H,3-6H2,1-2H3
InChIKeyZIVCNHYTBURYPE-UHFFFAOYSA-N
XLogP1.03
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.15
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(4-bromobutyl)-3,6-dimethylpyrimidine-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 1-(4-bromobutyl)-3,6-dimethylpyrimidine-2,4-dione?
The IUPAC name of 1-(4-bromobutyl)-3,6-dimethylpyrimidine-2,4-dione (CID 2783723) is 1-(4-bromobutyl)-3,6-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 1-(4-bromobutyl)-3,6-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 1-(4-bromobutyl)-3,6-dimethylpyrimidine-2,4-dione is Cc1cc(=O)n(C)c(=O)n1CCCCBr.
What is the InChIKey of 1-(4-bromobutyl)-3,6-dimethylpyrimidine-2,4-dione?
The InChIKey is ZIVCNHYTBURYPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O2/c1-8-7-9(14)12(2)10(15)13(8)6-4-3-5-11/h7H,3-6H2,1-2H3.
What are the key properties of 1-(4-bromobutyl)-3,6-dimethylpyrimidine-2,4-dione?
1-(4-bromobutyl)-3,6-dimethylpyrimidine-2,4-dione has a molecular weight of 275.15 g/mol, XLogP of 1.03, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromobutyl)-3,6-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 2783723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).