1-methyl-5-tributylstannylpyrimidine-2,4-dione

C17H32N2O2Sn — CID 177044443

IUPAC1-methyl-5-tributylstannylpyrimidine-2,4-dione
SMILESCCCC[Sn](CCCC)(CCCC)c1cn(C)c(=O)[nH]c1=O
InChIInChI=1S/C5H5N2O2.3C4H9.Sn/c1-7-3-2-4(8)6-5(7)9;3*1-3-4-2;/h3H,1H3,(H,6,8,9);3*1,3-4H2,2H3;
InChIKeyWPFAMTYLMLKEFX-UHFFFAOYSA-N
MW415.17 g/mol
LogP3.13
Rot. Bonds10

About 1-methyl-5-tributylstannylpyrimidine-2,4-dione

1-methyl-5-tributylstannylpyrimidine-2,4-dione (PubChem CID 177044443) has the molecular formula C17H32N2O2Sn and a molecular weight of 415.17 g/mol. Its IUPAC name is 1-methyl-5-tributylstannylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-methyl-5-tributylstannylpyrimidine-2,4-dione
PubChem CID177044443
Molecular FormulaC17H32N2O2Sn
Molecular Weight415.17 g/mol
Exact Mass416.15
IUPAC Name1-methyl-5-tributylstannylpyrimidine-2,4-dione
SMILESCCCC[Sn](CCCC)(CCCC)c1cn(C)c(=O)[nH]c1=O
InChIInChI=1S/C5H5N2O2.3C4H9.Sn/c1-7-3-2-4(8)6-5(7)9;3*1-3-4-2;/h3H,1H3,(H,6,8,9);3*1,3-4H2,2H3;
InChIKeyWPFAMTYLMLKEFX-UHFFFAOYSA-N
XLogP3.13
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.17
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-methyl-5-tributylstannylpyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-tributylstannylpyrimidine-2,4-dione?
The IUPAC name of 1-methyl-5-tributylstannylpyrimidine-2,4-dione (CID 177044443) is 1-methyl-5-tributylstannylpyrimidine-2,4-dione.
What is the SMILES notation for 1-methyl-5-tributylstannylpyrimidine-2,4-dione?
The canonical SMILES for 1-methyl-5-tributylstannylpyrimidine-2,4-dione is CCCC[Sn](CCCC)(CCCC)c1cn(C)c(=O)[nH]c1=O.
What is the InChIKey of 1-methyl-5-tributylstannylpyrimidine-2,4-dione?
The InChIKey is WPFAMTYLMLKEFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N2O2.3C4H9.Sn/c1-7-3-2-4(8)6-5(7)9;3*1-3-4-2;/h3H,1H3,(H,6,8,9);3*1,3-4H2,2H3;.
What are the key properties of 1-methyl-5-tributylstannylpyrimidine-2,4-dione?
1-methyl-5-tributylstannylpyrimidine-2,4-dione has a molecular weight of 415.17 g/mol, XLogP of 3.13, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-tributylstannylpyrimidine-2,4-dione is sourced from PubChem (CID 177044443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).