6-amino-3-[2-(2-bromoethoxy)ethyl]-2-methylpyrimidin-4-one

C9H14BrN3O2 — CID 59073485

IUPAC6-amino-3-[2-(2-bromoethoxy)ethyl]-2-methylpyrimidin-4-one
SMILESCc1nc(N)cc(=O)n1CCOCCBr
InChIInChI=1S/C9H14BrN3O2/c1-7-12-8(11)6-9(14)13(7)3-5-15-4-2-10/h6H,2-5,11H2,1H3
InChIKeyIXRWRQPYUWGCLM-UHFFFAOYSA-N
MW276.13 g/mol
LogP0.55
Rot. Bonds5

About 6-amino-3-[2-(2-bromoethoxy)ethyl]-2-methylpyrimidin-4-one

6-amino-3-[2-(2-bromoethoxy)ethyl]-2-methylpyrimidin-4-one (PubChem CID 59073485) has the molecular formula C9H14BrN3O2 and a molecular weight of 276.13 g/mol. Its IUPAC name is 6-amino-3-[2-(2-bromoethoxy)ethyl]-2-methylpyrimidin-4-one.

Molecular Properties

Compound Name6-amino-3-[2-(2-bromoethoxy)ethyl]-2-methylpyrimidin-4-one
PubChem CID59073485
Molecular FormulaC9H14BrN3O2
Molecular Weight276.13 g/mol
Exact Mass275.03
IUPAC Name6-amino-3-[2-(2-bromoethoxy)ethyl]-2-methylpyrimidin-4-one
SMILESCc1nc(N)cc(=O)n1CCOCCBr
InChIInChI=1S/C9H14BrN3O2/c1-7-12-8(11)6-9(14)13(7)3-5-15-4-2-10/h6H,2-5,11H2,1H3
InChIKeyIXRWRQPYUWGCLM-UHFFFAOYSA-N
XLogP0.55
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.13
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-amino-3-[2-(2-bromoethoxy)ethyl]-2-methylpyrimidin-4-one 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 6-amino-3-[2-(2-bromoethoxy)ethyl]-2-methylpyrimidin-4-one?
The IUPAC name of 6-amino-3-[2-(2-bromoethoxy)ethyl]-2-methylpyrimidin-4-one (CID 59073485) is 6-amino-3-[2-(2-bromoethoxy)ethyl]-2-methylpyrimidin-4-one.
What is the SMILES notation for 6-amino-3-[2-(2-bromoethoxy)ethyl]-2-methylpyrimidin-4-one?
The canonical SMILES for 6-amino-3-[2-(2-bromoethoxy)ethyl]-2-methylpyrimidin-4-one is Cc1nc(N)cc(=O)n1CCOCCBr.
What is the InChIKey of 6-amino-3-[2-(2-bromoethoxy)ethyl]-2-methylpyrimidin-4-one?
The InChIKey is IXRWRQPYUWGCLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrN3O2/c1-7-12-8(11)6-9(14)13(7)3-5-15-4-2-10/h6H,2-5,11H2,1H3.
What are the key properties of 6-amino-3-[2-(2-bromoethoxy)ethyl]-2-methylpyrimidin-4-one?
6-amino-3-[2-(2-bromoethoxy)ethyl]-2-methylpyrimidin-4-one has a molecular weight of 276.13 g/mol, XLogP of 0.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-[2-(2-bromoethoxy)ethyl]-2-methylpyrimidin-4-one is sourced from PubChem (CID 59073485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).