tributyl-(6-tributylstannylpyrimidin-4-yl)stannane

C28H56N2Sn2 — CID 86280249

IUPACtributyl-(6-tributylstannylpyrimidin-4-yl)stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1cc([Sn](CCCC)(CCCC)CCCC)ncn1
InChIInChI=1S/C4H2N2.6C4H9.2Sn/c1-2-5-4-6-3-1;6*1-3-4-2;;/h1,4H;6*1,3-4H2,2H3;;
InChIKeyUSPVHRNJMJBDGJ-UHFFFAOYSA-N
MW658.19 g/mol
LogP8.59
Rot. Bonds20

About tributyl-(6-tributylstannylpyrimidin-4-yl)stannane

tributyl-(6-tributylstannylpyrimidin-4-yl)stannane (PubChem CID 86280249) has the molecular formula C28H56N2Sn2 and a molecular weight of 658.19 g/mol. Its IUPAC name is tributyl-(6-tributylstannylpyrimidin-4-yl)stannane.

Molecular Properties

Compound Nametributyl-(6-tributylstannylpyrimidin-4-yl)stannane
PubChem CID86280249
Molecular FormulaC28H56N2Sn2
Molecular Weight658.19 g/mol
Exact Mass660.25
IUPAC Nametributyl-(6-tributylstannylpyrimidin-4-yl)stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1cc([Sn](CCCC)(CCCC)CCCC)ncn1
InChIInChI=1S/C4H2N2.6C4H9.2Sn/c1-2-5-4-6-3-1;6*1-3-4-2;;/h1,4H;6*1,3-4H2,2H3;;
InChIKeyUSPVHRNJMJBDGJ-UHFFFAOYSA-N
XLogP8.59
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500658.19
LogP ≤ 58.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze tributyl-(6-tributylstannylpyrimidin-4-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

Related Compounds

Pyrimidine-4,6-diamine
CID 79608
2-Dimethylaminopyrimidine
CID 521717
4-N-methylpyrimidine-4,6-diamine
CID 414677
4,6-Difluoropyrimidine
CID 137717
5-(Tributylstannyl)pyrimidine
CID 2763249
2-(Tributylstannyl)pyrimidine
CID 2763251
2-(Methylthio)-4-(tributylstannyl)pyrimidine
CID 2763261
4-Chloro-2-(tributylstannyl)pyrimidine
CID 14976304
4,6-Diiodopyrimidine
CID 15760295
4-(Tributylstannyl)pyrimidine
CID 17830060
4-N,4-N-dimethylpyrimidine-4,6-diamine
CID 13158536
2-Chloro-4-(tributylstannyl)pyrimidine
CID 46839953

Frequently Asked Questions

What is the IUPAC name of tributyl-(6-tributylstannylpyrimidin-4-yl)stannane?
The IUPAC name of tributyl-(6-tributylstannylpyrimidin-4-yl)stannane (CID 86280249) is tributyl-(6-tributylstannylpyrimidin-4-yl)stannane.
What is the SMILES notation for tributyl-(6-tributylstannylpyrimidin-4-yl)stannane?
The canonical SMILES for tributyl-(6-tributylstannylpyrimidin-4-yl)stannane is CCCC[Sn](CCCC)(CCCC)c1cc([Sn](CCCC)(CCCC)CCCC)ncn1.
What is the InChIKey of tributyl-(6-tributylstannylpyrimidin-4-yl)stannane?
The InChIKey is USPVHRNJMJBDGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2N2.6C4H9.2Sn/c1-2-5-4-6-3-1;6*1-3-4-2;;/h1,4H;6*1,3-4H2,2H3;;.
What are the key properties of tributyl-(6-tributylstannylpyrimidin-4-yl)stannane?
tributyl-(6-tributylstannylpyrimidin-4-yl)stannane has a molecular weight of 658.19 g/mol, XLogP of 8.59, 20 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-(6-tributylstannylpyrimidin-4-yl)stannane is sourced from PubChem (CID 86280249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).