6-amino-1-(5-bromopentyl)-2-sulfanylidenepyrimidin-4-one

C9H14BrN3OS — CID 15467139

IUPAC6-amino-1-(5-bromopentyl)-2-sulfanylidenepyrimidin-4-one
SMILESNc1cc(=O)[nH]c(=S)n1CCCCCBr
InChIInChI=1S/C9H14BrN3OS/c10-4-2-1-3-5-13-7(11)6-8(14)12-9(13)15/h6H,1-5,11H2,(H,12,14,15)
InChIKeySLHVKUXTTIOZMQ-UHFFFAOYSA-N
MW292.20 g/mol
LogP2.05
Rot. Bonds5

About 6-amino-1-(5-bromopentyl)-2-sulfanylidenepyrimidin-4-one

6-amino-1-(5-bromopentyl)-2-sulfanylidenepyrimidin-4-one (PubChem CID 15467139) has the molecular formula C9H14BrN3OS and a molecular weight of 292.20 g/mol. Its IUPAC name is 6-amino-1-(5-bromopentyl)-2-sulfanylidenepyrimidin-4-one.

Molecular Properties

Compound Name6-amino-1-(5-bromopentyl)-2-sulfanylidenepyrimidin-4-one
PubChem CID15467139
Molecular FormulaC9H14BrN3OS
Molecular Weight292.20 g/mol
Exact Mass291.00
IUPAC Name6-amino-1-(5-bromopentyl)-2-sulfanylidenepyrimidin-4-one
SMILESNc1cc(=O)[nH]c(=S)n1CCCCCBr
InChIInChI=1S/C9H14BrN3OS/c10-4-2-1-3-5-13-7(11)6-8(14)12-9(13)15/h6H,1-5,11H2,(H,12,14,15)
InChIKeySLHVKUXTTIOZMQ-UHFFFAOYSA-N
XLogP2.05
TPSA63.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.20
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-amino-1-(5-bromopentyl)-2-sulfanylidenepyrimidin-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-1-(5-bromopentyl)-2-sulfanylidenepyrimidin-4-one?
The IUPAC name of 6-amino-1-(5-bromopentyl)-2-sulfanylidenepyrimidin-4-one (CID 15467139) is 6-amino-1-(5-bromopentyl)-2-sulfanylidenepyrimidin-4-one.
What is the SMILES notation for 6-amino-1-(5-bromopentyl)-2-sulfanylidenepyrimidin-4-one?
The canonical SMILES for 6-amino-1-(5-bromopentyl)-2-sulfanylidenepyrimidin-4-one is Nc1cc(=O)[nH]c(=S)n1CCCCCBr.
What is the InChIKey of 6-amino-1-(5-bromopentyl)-2-sulfanylidenepyrimidin-4-one?
The InChIKey is SLHVKUXTTIOZMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrN3OS/c10-4-2-1-3-5-13-7(11)6-8(14)12-9(13)15/h6H,1-5,11H2,(H,12,14,15).
What are the key properties of 6-amino-1-(5-bromopentyl)-2-sulfanylidenepyrimidin-4-one?
6-amino-1-(5-bromopentyl)-2-sulfanylidenepyrimidin-4-one has a molecular weight of 292.20 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-(5-bromopentyl)-2-sulfanylidenepyrimidin-4-one is sourced from PubChem (CID 15467139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).