tributyl-(4-chloropyrimidin-2-yl)stannane

C16H29ClN2Sn — CID 14976304

IUPACtributyl-(4-chloropyrimidin-2-yl)stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1nccc(Cl)n1
InChIInChI=1S/C4H2ClN2.3C4H9.Sn/c5-4-1-2-6-3-7-4;3*1-3-4-2;/h1-2H;3*1,3-4H2,2H3;
InChIKeyLYCLDHXYCXTOCU-UHFFFAOYSA-N
MW403.59 g/mol
LogP5.19
Rot. Bonds10

About tributyl-(4-chloropyrimidin-2-yl)stannane

tributyl-(4-chloropyrimidin-2-yl)stannane (PubChem CID 14976304) has the molecular formula C16H29ClN2Sn and a molecular weight of 403.59 g/mol. Its IUPAC name is tributyl-(4-chloropyrimidin-2-yl)stannane.

Molecular Properties

Compound Nametributyl-(4-chloropyrimidin-2-yl)stannane
PubChem CID14976304
Molecular FormulaC16H29ClN2Sn
Molecular Weight403.59 g/mol
Exact Mass404.10
IUPAC Nametributyl-(4-chloropyrimidin-2-yl)stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1nccc(Cl)n1
InChIInChI=1S/C4H2ClN2.3C4H9.Sn/c5-4-1-2-6-3-7-4;3*1-3-4-2;/h1-2H;3*1,3-4H2,2H3;
InChIKeyLYCLDHXYCXTOCU-UHFFFAOYSA-N
XLogP5.19
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.59
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tributyl-(4-chloropyrimidin-2-yl)stannane?
The IUPAC name of tributyl-(4-chloropyrimidin-2-yl)stannane (CID 14976304) is tributyl-(4-chloropyrimidin-2-yl)stannane.
What is the SMILES notation for tributyl-(4-chloropyrimidin-2-yl)stannane?
The canonical SMILES for tributyl-(4-chloropyrimidin-2-yl)stannane is CCCC[Sn](CCCC)(CCCC)c1nccc(Cl)n1.
What is the InChIKey of tributyl-(4-chloropyrimidin-2-yl)stannane?
The InChIKey is LYCLDHXYCXTOCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2ClN2.3C4H9.Sn/c5-4-1-2-6-3-7-4;3*1-3-4-2;/h1-2H;3*1,3-4H2,2H3;.
What are the key properties of tributyl-(4-chloropyrimidin-2-yl)stannane?
tributyl-(4-chloropyrimidin-2-yl)stannane has a molecular weight of 403.59 g/mol, XLogP of 5.19, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-(4-chloropyrimidin-2-yl)stannane is sourced from PubChem (CID 14976304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).