tributyl-[(E)-3-(5-chloropyrimidin-2-yl)oxybut-1-enyl]stannane

C20H35ClN2OSn — CID 11091960

IUPACtributyl-[(E)-3-(5-chloropyrimidin-2-yl)oxybut-1-enyl]stannane
SMILESCCCC[Sn](/C=C/C(C)Oc1ncc(Cl)cn1)(CCCC)CCCC
InChIInChI=1S/C8H8ClN2O.3C4H9.Sn/c1-3-6(2)12-8-10-4-7(9)5-11-8;3*1-3-4-2;/h1,3-6H,2H3;3*1,3-4H2,2H3;
InChIKeyZCDILXSUFJGJHP-UHFFFAOYSA-N
MW473.68 g/mol
LogP6.84
Rot. Bonds13

About tributyl-[(E)-3-(5-chloropyrimidin-2-yl)oxybut-1-enyl]stannane

tributyl-[(E)-3-(5-chloropyrimidin-2-yl)oxybut-1-enyl]stannane (PubChem CID 11091960) has the molecular formula C20H35ClN2OSn and a molecular weight of 473.68 g/mol. Its IUPAC name is tributyl-[(E)-3-(5-chloropyrimidin-2-yl)oxybut-1-enyl]stannane.

Molecular Properties

Compound Nametributyl-[(E)-3-(5-chloropyrimidin-2-yl)oxybut-1-enyl]stannane
PubChem CID11091960
Molecular FormulaC20H35ClN2OSn
Molecular Weight473.68 g/mol
Exact Mass474.15
IUPAC Nametributyl-[(E)-3-(5-chloropyrimidin-2-yl)oxybut-1-enyl]stannane
SMILESCCCC[Sn](/C=C/C(C)Oc1ncc(Cl)cn1)(CCCC)CCCC
InChIInChI=1S/C8H8ClN2O.3C4H9.Sn/c1-3-6(2)12-8-10-4-7(9)5-11-8;3*1-3-4-2;/h1,3-6H,2H3;3*1,3-4H2,2H3;
InChIKeyZCDILXSUFJGJHP-UHFFFAOYSA-N
XLogP6.84
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.68
LogP ≤ 56.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze tributyl-[(E)-3-(5-chloropyrimidin-2-yl)oxybut-1-enyl]stannane 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 tributyl-[(E)-3-(5-chloropyrimidin-2-yl)oxybut-1-enyl]stannane?
The IUPAC name of tributyl-[(E)-3-(5-chloropyrimidin-2-yl)oxybut-1-enyl]stannane (CID 11091960) is tributyl-[(E)-3-(5-chloropyrimidin-2-yl)oxybut-1-enyl]stannane.
What is the SMILES notation for tributyl-[(E)-3-(5-chloropyrimidin-2-yl)oxybut-1-enyl]stannane?
The canonical SMILES for tributyl-[(E)-3-(5-chloropyrimidin-2-yl)oxybut-1-enyl]stannane is CCCC[Sn](/C=C/C(C)Oc1ncc(Cl)cn1)(CCCC)CCCC.
What is the InChIKey of tributyl-[(E)-3-(5-chloropyrimidin-2-yl)oxybut-1-enyl]stannane?
The InChIKey is ZCDILXSUFJGJHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN2O.3C4H9.Sn/c1-3-6(2)12-8-10-4-7(9)5-11-8;3*1-3-4-2;/h1,3-6H,2H3;3*1,3-4H2,2H3;.
What are the key properties of tributyl-[(E)-3-(5-chloropyrimidin-2-yl)oxybut-1-enyl]stannane?
tributyl-[(E)-3-(5-chloropyrimidin-2-yl)oxybut-1-enyl]stannane has a molecular weight of 473.68 g/mol, XLogP of 6.84, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[(E)-3-(5-chloropyrimidin-2-yl)oxybut-1-enyl]stannane is sourced from PubChem (CID 11091960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).