tributyl-(5-iodopyrimidin-2-yl)oxystannane

C16H29IN2OSn — CID 16701676

IUPACtributyl-(5-iodopyrimidin-2-yl)oxystannane
SMILESCCCC[Sn](CCCC)(CCCC)Oc1ncc(I)cn1
InChIInChI=1S/C4H3IN2O.3C4H9.Sn/c5-3-1-6-4(8)7-2-3;3*1-3-4-2;/h1-2H,(H,6,7,8);3*1,3-4H2,2H3;/q;;;;+1/p-1
InChIKeyZTKKKRMLDHGGQQ-UHFFFAOYSA-M
MW511.04 g/mol
LogP5.81
Rot. Bonds11

About tributyl-(5-iodopyrimidin-2-yl)oxystannane

tributyl-(5-iodopyrimidin-2-yl)oxystannane (PubChem CID 16701676) has the molecular formula C16H29IN2OSn and a molecular weight of 511.04 g/mol. Its IUPAC name is tributyl-(5-iodopyrimidin-2-yl)oxystannane.

Molecular Properties

Compound Nametributyl-(5-iodopyrimidin-2-yl)oxystannane
PubChem CID16701676
Molecular FormulaC16H29IN2OSn
Molecular Weight511.04 g/mol
Exact Mass512.03
IUPAC Nametributyl-(5-iodopyrimidin-2-yl)oxystannane
SMILESCCCC[Sn](CCCC)(CCCC)Oc1ncc(I)cn1
InChIInChI=1S/C4H3IN2O.3C4H9.Sn/c5-3-1-6-4(8)7-2-3;3*1-3-4-2;/h1-2H,(H,6,7,8);3*1,3-4H2,2H3;/q;;;;+1/p-1
InChIKeyZTKKKRMLDHGGQQ-UHFFFAOYSA-M
XLogP5.81
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.04
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tributyl-(5-iodopyrimidin-2-yl)oxystannane?
The IUPAC name of tributyl-(5-iodopyrimidin-2-yl)oxystannane (CID 16701676) is tributyl-(5-iodopyrimidin-2-yl)oxystannane.
What is the SMILES notation for tributyl-(5-iodopyrimidin-2-yl)oxystannane?
The canonical SMILES for tributyl-(5-iodopyrimidin-2-yl)oxystannane is CCCC[Sn](CCCC)(CCCC)Oc1ncc(I)cn1.
What is the InChIKey of tributyl-(5-iodopyrimidin-2-yl)oxystannane?
The InChIKey is ZTKKKRMLDHGGQQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H3IN2O.3C4H9.Sn/c5-3-1-6-4(8)7-2-3;3*1-3-4-2;/h1-2H,(H,6,7,8);3*1,3-4H2,2H3;/q;;;;+1/p-1.
What are the key properties of tributyl-(5-iodopyrimidin-2-yl)oxystannane?
tributyl-(5-iodopyrimidin-2-yl)oxystannane has a molecular weight of 511.04 g/mol, XLogP of 5.81, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-(5-iodopyrimidin-2-yl)oxystannane is sourced from PubChem (CID 16701676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).