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

C17H32N2SSn — CID 2763261

IUPACtributyl-(2-methylsulfanylpyrimidin-4-yl)stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1ccnc(SC)n1
InChIInChI=1S/C5H5N2S.3C4H9.Sn/c1-8-5-6-3-2-4-7-5;3*1-3-4-2;/h2-3H,1H3;3*1,3-4H2,2H3;
InChIKeyPTONZGYJJBJAGZ-UHFFFAOYSA-N
MW415.24 g/mol
LogP5.25
Rot. Bonds11

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

tributyl-(2-methylsulfanylpyrimidin-4-yl)stannane (PubChem CID 2763261) has the molecular formula C17H32N2SSn and a molecular weight of 415.24 g/mol. Its IUPAC name is tributyl-(2-methylsulfanylpyrimidin-4-yl)stannane.

Molecular Properties

Compound Nametributyl-(2-methylsulfanylpyrimidin-4-yl)stannane
PubChem CID2763261
Molecular FormulaC17H32N2SSn
Molecular Weight415.24 g/mol
Exact Mass416.13
IUPAC Nametributyl-(2-methylsulfanylpyrimidin-4-yl)stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1ccnc(SC)n1
InChIInChI=1S/C5H5N2S.3C4H9.Sn/c1-8-5-6-3-2-4-7-5;3*1-3-4-2;/h2-3H,1H3;3*1,3-4H2,2H3;
InChIKeyPTONZGYJJBJAGZ-UHFFFAOYSA-N
XLogP5.25
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.24
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-Chloro-2-methylthiopyrimidine
CID 97113
2-(Methylthio)pyrimidin-4-amine
CID 259225
2-(Methylsulfanyl)pyrimidine
CID 522772
2-Dimethylaminopyrimidine
CID 521717
4-Iodo-2-(methylthio)pyrimidine
CID 3858901
2-(Ethylsulfanyl)pyrimidine
CID 12764701
2-(Methylsulphonyl)pyrimidine
CID 13289225
4-Pyrimidinamine, 2-(ethylthio)-
CID 565730
Pyrimidine, 2,4-bis(methylthio)-
CID 599004
2-(Methyldithio)Pyrimidine
CID 12278995
2-(Tributylstannyl)pyrimidine
CID 2763251
2-(Methylthio)-5-(tributylstannyl)pyrimidine
CID 2763262

Frequently Asked Questions

What is the IUPAC name of tributyl-(2-methylsulfanylpyrimidin-4-yl)stannane?
The IUPAC name of tributyl-(2-methylsulfanylpyrimidin-4-yl)stannane (CID 2763261) is tributyl-(2-methylsulfanylpyrimidin-4-yl)stannane.
What is the SMILES notation for tributyl-(2-methylsulfanylpyrimidin-4-yl)stannane?
The canonical SMILES for tributyl-(2-methylsulfanylpyrimidin-4-yl)stannane is CCCC[Sn](CCCC)(CCCC)c1ccnc(SC)n1.
What is the InChIKey of tributyl-(2-methylsulfanylpyrimidin-4-yl)stannane?
The InChIKey is PTONZGYJJBJAGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N2S.3C4H9.Sn/c1-8-5-6-3-2-4-7-5;3*1-3-4-2;/h2-3H,1H3;3*1,3-4H2,2H3;.
What are the key properties of tributyl-(2-methylsulfanylpyrimidin-4-yl)stannane?
tributyl-(2-methylsulfanylpyrimidin-4-yl)stannane has a molecular weight of 415.24 g/mol, XLogP of 5.25, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-(2-methylsulfanylpyrimidin-4-yl)stannane is sourced from PubChem (CID 2763261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).