tributyl-[2-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]stannane

C19H30F3N3Sn — CID 140742860

IUPACtributyl-[2-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1c(C(F)(F)F)nc2ncccn12
InChIInChI=1S/C7H3F3N3.3C4H9.Sn/c8-7(9,10)5-4-13-3-1-2-11-6(13)12-5;3*1-3-4-2;/h1-3H;3*1,3-4H2,2H3;
InChIKeyLWNDMYYSSHDHLI-UHFFFAOYSA-N
MW476.18 g/mol
LogP5.80
Rot. Bonds10

About tributyl-[2-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]stannane

tributyl-[2-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]stannane (PubChem CID 140742860) has the molecular formula C19H30F3N3Sn and a molecular weight of 476.18 g/mol. Its IUPAC name is tributyl-[2-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]stannane.

Molecular Properties

Compound Nametributyl-[2-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]stannane
PubChem CID140742860
Molecular FormulaC19H30F3N3Sn
Molecular Weight476.18 g/mol
Exact Mass477.14
IUPAC Nametributyl-[2-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1c(C(F)(F)F)nc2ncccn12
InChIInChI=1S/C7H3F3N3.3C4H9.Sn/c8-7(9,10)5-4-13-3-1-2-11-6(13)12-5;3*1-3-4-2;/h1-3H;3*1,3-4H2,2H3;
InChIKeyLWNDMYYSSHDHLI-UHFFFAOYSA-N
XLogP5.80
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.18
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tributyl-[2-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]stannane?
The IUPAC name of tributyl-[2-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]stannane (CID 140742860) is tributyl-[2-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]stannane.
What is the SMILES notation for tributyl-[2-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]stannane?
The canonical SMILES for tributyl-[2-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]stannane is CCCC[Sn](CCCC)(CCCC)c1c(C(F)(F)F)nc2ncccn12.
What is the InChIKey of tributyl-[2-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]stannane?
The InChIKey is LWNDMYYSSHDHLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F3N3.3C4H9.Sn/c8-7(9,10)5-4-13-3-1-2-11-6(13)12-5;3*1-3-4-2;/h1-3H;3*1,3-4H2,2H3;.
What are the key properties of tributyl-[2-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]stannane?
tributyl-[2-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]stannane has a molecular weight of 476.18 g/mol, XLogP of 5.80, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[2-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]stannane is sourced from PubChem (CID 140742860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).