trimethylstannyl 2,4-dioxo-1H-pyrimidine-6-carboxylate

C8H12N2O4Sn — CID 16709849

IUPACtrimethylstannyl 2,4-dioxo-1H-pyrimidine-6-carboxylate
SMILESC[Sn](C)(C)OC(=O)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C5H4N2O4.3CH3.Sn/c8-3-1-2(4(9)10)6-5(11)7-3;;;;/h1H,(H,9,10)(H2,6,7,8,11);3*1H3;/q;;;;+1/p-1
InChIKeyZXONTKWEQHWGDE-UHFFFAOYSA-M
MW318.91 g/mol
LogP0.05
Rot. Bonds2

About trimethylstannyl 2,4-dioxo-1H-pyrimidine-6-carboxylate

trimethylstannyl 2,4-dioxo-1H-pyrimidine-6-carboxylate (PubChem CID 16709849) has the molecular formula C8H12N2O4Sn and a molecular weight of 318.91 g/mol. Its IUPAC name is trimethylstannyl 2,4-dioxo-1H-pyrimidine-6-carboxylate.

Molecular Properties

Compound Nametrimethylstannyl 2,4-dioxo-1H-pyrimidine-6-carboxylate
PubChem CID16709849
Molecular FormulaC8H12N2O4Sn
Molecular Weight318.91 g/mol
Exact Mass319.98
IUPAC Nametrimethylstannyl 2,4-dioxo-1H-pyrimidine-6-carboxylate
SMILESC[Sn](C)(C)OC(=O)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C5H4N2O4.3CH3.Sn/c8-3-1-2(4(9)10)6-5(11)7-3;;;;/h1H,(H,9,10)(H2,6,7,8,11);3*1H3;/q;;;;+1/p-1
InChIKeyZXONTKWEQHWGDE-UHFFFAOYSA-M
XLogP0.05
TPSA92.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.91
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of trimethylstannyl 2,4-dioxo-1H-pyrimidine-6-carboxylate?
The IUPAC name of trimethylstannyl 2,4-dioxo-1H-pyrimidine-6-carboxylate (CID 16709849) is trimethylstannyl 2,4-dioxo-1H-pyrimidine-6-carboxylate.
What is the SMILES notation for trimethylstannyl 2,4-dioxo-1H-pyrimidine-6-carboxylate?
The canonical SMILES for trimethylstannyl 2,4-dioxo-1H-pyrimidine-6-carboxylate is C[Sn](C)(C)OC(=O)c1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of trimethylstannyl 2,4-dioxo-1H-pyrimidine-6-carboxylate?
The InChIKey is ZXONTKWEQHWGDE-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H4N2O4.3CH3.Sn/c8-3-1-2(4(9)10)6-5(11)7-3;;;;/h1H,(H,9,10)(H2,6,7,8,11);3*1H3;/q;;;;+1/p-1.
What are the key properties of trimethylstannyl 2,4-dioxo-1H-pyrimidine-6-carboxylate?
trimethylstannyl 2,4-dioxo-1H-pyrimidine-6-carboxylate has a molecular weight of 318.91 g/mol, XLogP of 0.05, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylstannyl 2,4-dioxo-1H-pyrimidine-6-carboxylate is sourced from PubChem (CID 16709849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).