tributyl-(2,4-dimethoxypyrimidin-5-yl)stannane

C18H34N2O2Sn — CID 58719737

IUPACtributyl-(2,4-dimethoxypyrimidin-5-yl)stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1cnc(OC)nc1OC
InChIInChI=1S/C6H7N2O2.3C4H9.Sn/c1-9-5-3-4-7-6(8-5)10-2;3*1-3-4-2;/h4H,1-2H3;3*1,3-4H2,2H3;
InChIKeyBUNICSJJYKSRMW-UHFFFAOYSA-N
MW429.19 g/mol
LogP4.55
Rot. Bonds12

About tributyl-(2,4-dimethoxypyrimidin-5-yl)stannane

tributyl-(2,4-dimethoxypyrimidin-5-yl)stannane (PubChem CID 58719737) has the molecular formula C18H34N2O2Sn and a molecular weight of 429.19 g/mol. Its IUPAC name is tributyl-(2,4-dimethoxypyrimidin-5-yl)stannane.

Molecular Properties

Compound Nametributyl-(2,4-dimethoxypyrimidin-5-yl)stannane
PubChem CID58719737
Molecular FormulaC18H34N2O2Sn
Molecular Weight429.19 g/mol
Exact Mass430.16
IUPAC Nametributyl-(2,4-dimethoxypyrimidin-5-yl)stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1cnc(OC)nc1OC
InChIInChI=1S/C6H7N2O2.3C4H9.Sn/c1-9-5-3-4-7-6(8-5)10-2;3*1-3-4-2;/h4H,1-2H3;3*1,3-4H2,2H3;
InChIKeyBUNICSJJYKSRMW-UHFFFAOYSA-N
XLogP4.55
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.19
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze tributyl-(2,4-dimethoxypyrimidin-5-yl)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-(2,4-dimethoxypyrimidin-5-yl)stannane?
The IUPAC name of tributyl-(2,4-dimethoxypyrimidin-5-yl)stannane (CID 58719737) is tributyl-(2,4-dimethoxypyrimidin-5-yl)stannane.
What is the SMILES notation for tributyl-(2,4-dimethoxypyrimidin-5-yl)stannane?
The canonical SMILES for tributyl-(2,4-dimethoxypyrimidin-5-yl)stannane is CCCC[Sn](CCCC)(CCCC)c1cnc(OC)nc1OC.
What is the InChIKey of tributyl-(2,4-dimethoxypyrimidin-5-yl)stannane?
The InChIKey is BUNICSJJYKSRMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N2O2.3C4H9.Sn/c1-9-5-3-4-7-6(8-5)10-2;3*1-3-4-2;/h4H,1-2H3;3*1,3-4H2,2H3;.
What are the key properties of tributyl-(2,4-dimethoxypyrimidin-5-yl)stannane?
tributyl-(2,4-dimethoxypyrimidin-5-yl)stannane has a molecular weight of 429.19 g/mol, XLogP of 4.55, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-(2,4-dimethoxypyrimidin-5-yl)stannane is sourced from PubChem (CID 58719737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).