dibutyl-butyl-(2-ethoxypyrimidin-5-yl)stannane

C18H33N2OSn+ — CID 172806898

IUPACdibutyl-butyl-(2-ethoxypyrimidin-5-yl)stannane
SMILES[CH2+]CCC[Sn](CCCC)(CCCC)c1cnc(OCC)nc1
InChIInChI=1S/C6H7N2O.2C4H9.C4H8.Sn/c1-2-9-6-7-4-3-5-8-6;3*1-3-4-2;/h4-5H,2H2,1H3;2*1,3-4H2,2H3;1-4H2;/q;;;+1;
InChIKeyRQCRMORAWQAVCE-UHFFFAOYSA-N
MW412.19 g/mol
LogP4.75
Rot. Bonds12

About dibutyl-butyl-(2-ethoxypyrimidin-5-yl)stannane

dibutyl-butyl-(2-ethoxypyrimidin-5-yl)stannane (PubChem CID 172806898) has the molecular formula C18H33N2OSn+ and a molecular weight of 412.19 g/mol. Its IUPAC name is dibutyl-butyl-(2-ethoxypyrimidin-5-yl)stannane.

Molecular Properties

Compound Namedibutyl-butyl-(2-ethoxypyrimidin-5-yl)stannane
PubChem CID172806898
Molecular FormulaC18H33N2OSn+
Molecular Weight412.19 g/mol
Exact Mass413.16
IUPAC Namedibutyl-butyl-(2-ethoxypyrimidin-5-yl)stannane
SMILES[CH2+]CCC[Sn](CCCC)(CCCC)c1cnc(OCC)nc1
InChIInChI=1S/C6H7N2O.2C4H9.C4H8.Sn/c1-2-9-6-7-4-3-5-8-6;3*1-3-4-2;/h4-5H,2H2,1H3;2*1,3-4H2,2H3;1-4H2;/q;;;+1;
InChIKeyRQCRMORAWQAVCE-UHFFFAOYSA-N
XLogP4.75
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.19
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dibutyl-butyl-(2-ethoxypyrimidin-5-yl)stannane?
The IUPAC name of dibutyl-butyl-(2-ethoxypyrimidin-5-yl)stannane (CID 172806898) is dibutyl-butyl-(2-ethoxypyrimidin-5-yl)stannane.
What is the SMILES notation for dibutyl-butyl-(2-ethoxypyrimidin-5-yl)stannane?
The canonical SMILES for dibutyl-butyl-(2-ethoxypyrimidin-5-yl)stannane is [CH2+]CCC[Sn](CCCC)(CCCC)c1cnc(OCC)nc1.
What is the InChIKey of dibutyl-butyl-(2-ethoxypyrimidin-5-yl)stannane?
The InChIKey is RQCRMORAWQAVCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N2O.2C4H9.C4H8.Sn/c1-2-9-6-7-4-3-5-8-6;3*1-3-4-2;/h4-5H,2H2,1H3;2*1,3-4H2,2H3;1-4H2;/q;;;+1;.
What are the key properties of dibutyl-butyl-(2-ethoxypyrimidin-5-yl)stannane?
dibutyl-butyl-(2-ethoxypyrimidin-5-yl)stannane has a molecular weight of 412.19 g/mol, XLogP of 4.75, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dibutyl-butyl-(2-ethoxypyrimidin-5-yl)stannane is sourced from PubChem (CID 172806898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).