1-[(2R,5S)-5-(hydroxymethyl)-3-tributylstannyl-2,5-dihydrofuran-2-yl]-5-methylpyrimidine-2,4-dione

C22H38N2O4Sn — CID 11081824

IUPAC1-[(2R,5S)-5-(hydroxymethyl)-3-tributylstannyl-2,5-dihydrofuran-2-yl]-5-methylpyrimidine-2,4-dione
SMILESCCCC[Sn](CCCC)(CCCC)C1=C[C@@H](CO)O[C@H]1n1cc(C)c(=O)[nH]c1=O
InChIInChI=1S/C10H11N2O4.3C4H9.Sn/c1-6-4-12(10(15)11-9(6)14)8-3-2-7(5-13)16-8;3*1-3-4-2;/h2,4,7-8,13H,5H2,1H3,(H,11,14,15);3*1,3-4H2,2H3;/t7-,8+;;;;/m0..../s1
InChIKeyMUNMBKINWDJFGA-JWQBCWJNSA-N
MW513.27 g/mol
LogP4.05
Rot. Bonds12

About 1-[(2R,5S)-5-(hydroxymethyl)-3-tributylstannyl-2,5-dihydrofuran-2-yl]-5-methylpyrimidine-2,4-dione

1-[(2R,5S)-5-(hydroxymethyl)-3-tributylstannyl-2,5-dihydrofuran-2-yl]-5-methylpyrimidine-2,4-dione (PubChem CID 11081824) has the molecular formula C22H38N2O4Sn and a molecular weight of 513.27 g/mol. Its IUPAC name is 1-[(2R,5S)-5-(hydroxymethyl)-3-tributylstannyl-2,5-dihydrofuran-2-yl]-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(2R,5S)-5-(hydroxymethyl)-3-tributylstannyl-2,5-dihydrofuran-2-yl]-5-methylpyrimidine-2,4-dione
PubChem CID11081824
Molecular FormulaC22H38N2O4Sn
Molecular Weight513.27 g/mol
Exact Mass514.19
IUPAC Name1-[(2R,5S)-5-(hydroxymethyl)-3-tributylstannyl-2,5-dihydrofuran-2-yl]-5-methylpyrimidine-2,4-dione
SMILESCCCC[Sn](CCCC)(CCCC)C1=C[C@@H](CO)O[C@H]1n1cc(C)c(=O)[nH]c1=O
InChIInChI=1S/C10H11N2O4.3C4H9.Sn/c1-6-4-12(10(15)11-9(6)14)8-3-2-7(5-13)16-8;3*1-3-4-2;/h2,4,7-8,13H,5H2,1H3,(H,11,14,15);3*1,3-4H2,2H3;/t7-,8+;;;;/m0..../s1
InChIKeyMUNMBKINWDJFGA-JWQBCWJNSA-N
XLogP4.05
TPSA84.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.27
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2S,5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-5-methylpyrimidine-2,4-dione
CID 727961
1-[(2R,5S)-5-(hydroxy(113C)methyl)-(2,3,4,5-13C4)2,5-dihydrofuran-2-yl]-5-methyl(613C,1,3-15N2)pyrimidine-2,4-dione
CID 11042603
1-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-sulfanylideneoxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 22868514
1-[(2R,5S)-5-(hydroxymethyl)-3-oxooxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 57228598
1-[(2R,4S,5R)-3-ethylidene-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 54518307
1-[(2R,5R)-3-ethylidene-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 57133371
1-[(2R,5R)-4-bromo-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 21145514
1-[(2R,5R)-4-(hexyldisulfanyl)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-5-methylpyrimidine-2,4-dione
CID 25010354
1-[5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;sulfanol
CID 177038919
1-[(2R,3S,4R,5R)-3,4-dibromo-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 10068562
1-[(6S)-6-(hydroxymethyl)morpholin-2-yl]-5-methylpyrimidine-2,4-dione
CID 167109570
1-[(2R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methyl-2,5-dihydrofuran-2-yl]-5-methylpyrimidine-2,4-dione
CID 10695945

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,5S)-5-(hydroxymethyl)-3-tributylstannyl-2,5-dihydrofuran-2-yl]-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-[(2R,5S)-5-(hydroxymethyl)-3-tributylstannyl-2,5-dihydrofuran-2-yl]-5-methylpyrimidine-2,4-dione (CID 11081824) is 1-[(2R,5S)-5-(hydroxymethyl)-3-tributylstannyl-2,5-dihydrofuran-2-yl]-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[(2R,5S)-5-(hydroxymethyl)-3-tributylstannyl-2,5-dihydrofuran-2-yl]-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-[(2R,5S)-5-(hydroxymethyl)-3-tributylstannyl-2,5-dihydrofuran-2-yl]-5-methylpyrimidine-2,4-dione is CCCC[Sn](CCCC)(CCCC)C1=C[C@@H](CO)O[C@H]1n1cc(C)c(=O)[nH]c1=O.
What is the InChIKey of 1-[(2R,5S)-5-(hydroxymethyl)-3-tributylstannyl-2,5-dihydrofuran-2-yl]-5-methylpyrimidine-2,4-dione?
The InChIKey is MUNMBKINWDJFGA-JWQBCWJNSA-N. The full InChI is InChI=1S/C10H11N2O4.3C4H9.Sn/c1-6-4-12(10(15)11-9(6)14)8-3-2-7(5-13)16-8;3*1-3-4-2;/h2,4,7-8,13H,5H2,1H3,(H,11,14,15);3*1,3-4H2,2H3;/t7-,8+;;;;/m0..../s1.
What are the key properties of 1-[(2R,5S)-5-(hydroxymethyl)-3-tributylstannyl-2,5-dihydrofuran-2-yl]-5-methylpyrimidine-2,4-dione?
1-[(2R,5S)-5-(hydroxymethyl)-3-tributylstannyl-2,5-dihydrofuran-2-yl]-5-methylpyrimidine-2,4-dione has a molecular weight of 513.27 g/mol, XLogP of 4.05, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,5S)-5-(hydroxymethyl)-3-tributylstannyl-2,5-dihydrofuran-2-yl]-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 11081824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).