1-[(2R,4S,5R)-4-fluoro-5-(hydroxymethyl)oxolan-2-yl]-5-tributylstannylpyrimidine-2,4-dione

C21H37FN2O4Sn — CID 121487478

IUPAC1-[(2R,4S,5R)-4-fluoro-5-(hydroxymethyl)oxolan-2-yl]-5-tributylstannylpyrimidine-2,4-dione
SMILESCCCC[Sn](CCCC)(CCCC)c1cn([C@H]2C[C@H](F)[C@@H](CO)O2)c(=O)[nH]c1=O
InChIInChI=1S/C9H10FN2O4.3C4H9.Sn/c10-5-3-8(16-6(5)4-13)12-2-1-7(14)11-9(12)15;3*1-3-4-2;/h2,5-6,8,13H,3-4H2,(H,11,14,15);3*1,3-4H2,2H3;/t5-,6+,8+;;;;/m0..../s1
InChIKeyBRRHXEYJTALGNQ-OIXZBRQUSA-N
MW519.25 g/mol
LogP3.21
Rot. Bonds12

About 1-[(2R,4S,5R)-4-fluoro-5-(hydroxymethyl)oxolan-2-yl]-5-tributylstannylpyrimidine-2,4-dione

1-[(2R,4S,5R)-4-fluoro-5-(hydroxymethyl)oxolan-2-yl]-5-tributylstannylpyrimidine-2,4-dione (PubChem CID 121487478) has the molecular formula C21H37FN2O4Sn and a molecular weight of 519.25 g/mol. Its IUPAC name is 1-[(2R,4S,5R)-4-fluoro-5-(hydroxymethyl)oxolan-2-yl]-5-tributylstannylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(2R,4S,5R)-4-fluoro-5-(hydroxymethyl)oxolan-2-yl]-5-tributylstannylpyrimidine-2,4-dione
PubChem CID121487478
Molecular FormulaC21H37FN2O4Sn
Molecular Weight519.25 g/mol
Exact Mass520.18
IUPAC Name1-[(2R,4S,5R)-4-fluoro-5-(hydroxymethyl)oxolan-2-yl]-5-tributylstannylpyrimidine-2,4-dione
SMILESCCCC[Sn](CCCC)(CCCC)c1cn([C@H]2C[C@H](F)[C@@H](CO)O2)c(=O)[nH]c1=O
InChIInChI=1S/C9H10FN2O4.3C4H9.Sn/c10-5-3-8(16-6(5)4-13)12-2-1-7(14)11-9(12)15;3*1-3-4-2;/h2,5-6,8,13H,3-4H2,(H,11,14,15);3*1,3-4H2,2H3;/t5-,6+,8+;;;;/m0..../s1
InChIKeyBRRHXEYJTALGNQ-OIXZBRQUSA-N
XLogP3.21
TPSA84.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.25
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[(2R,4S,5R)-4-fluoro-5-(hydroxymethyl)oxolan-2-yl]-5-tributylstannylpyrimidine-2,4-dione with MolForge

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Related Compounds

1-[(4R)-4-fluoro-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 134356951
5-amino-1-[(2S,5S)-4-fluoro-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 57310202
5-chloro-1-[(2S,5S)-4-fluoro-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 57172100
5-fluoro-1-[4-fluoro-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 14541189
5-fluoro-1-[(2R,4S,5R)-4-fluoro-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 139053601
5-(ethoxymethyl)-1-[(2S,5S)-4-fluoro-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 67942314
5-(1,2-diiodoethenyl)-1-[4-fluoro-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 91462837
5-fluoro-1-[(2R,4S,5R)-4-fluoro-5-(hydroxymethyl)oxolan-2-yl]-4-sulfanylidenepyrimidin-2-one
CID 11747467
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(2-tributylstannylethynyl)pyrimidine-2,4-dione
CID 11295678
5-butyl-1-[(2S,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 67067016
5-chloro-1-[(2R,4S,5R)-5-[deuterio(hydroxy)methyl]-4-fluorooxolan-2-yl]pyrimidine-2,4-dione
CID 121487302
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxy(113C)methyl)(2,3,4,5-13C4)oxolan-2-yl]-5-methyl(1,3-15N2)pyrimidine-2,4-dione
CID 118855773

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,4S,5R)-4-fluoro-5-(hydroxymethyl)oxolan-2-yl]-5-tributylstannylpyrimidine-2,4-dione?
The IUPAC name of 1-[(2R,4S,5R)-4-fluoro-5-(hydroxymethyl)oxolan-2-yl]-5-tributylstannylpyrimidine-2,4-dione (CID 121487478) is 1-[(2R,4S,5R)-4-fluoro-5-(hydroxymethyl)oxolan-2-yl]-5-tributylstannylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[(2R,4S,5R)-4-fluoro-5-(hydroxymethyl)oxolan-2-yl]-5-tributylstannylpyrimidine-2,4-dione?
The canonical SMILES for 1-[(2R,4S,5R)-4-fluoro-5-(hydroxymethyl)oxolan-2-yl]-5-tributylstannylpyrimidine-2,4-dione is CCCC[Sn](CCCC)(CCCC)c1cn([C@H]2C[C@H](F)[C@@H](CO)O2)c(=O)[nH]c1=O.
What is the InChIKey of 1-[(2R,4S,5R)-4-fluoro-5-(hydroxymethyl)oxolan-2-yl]-5-tributylstannylpyrimidine-2,4-dione?
The InChIKey is BRRHXEYJTALGNQ-OIXZBRQUSA-N. The full InChI is InChI=1S/C9H10FN2O4.3C4H9.Sn/c10-5-3-8(16-6(5)4-13)12-2-1-7(14)11-9(12)15;3*1-3-4-2;/h2,5-6,8,13H,3-4H2,(H,11,14,15);3*1,3-4H2,2H3;/t5-,6+,8+;;;;/m0..../s1.
What are the key properties of 1-[(2R,4S,5R)-4-fluoro-5-(hydroxymethyl)oxolan-2-yl]-5-tributylstannylpyrimidine-2,4-dione?
1-[(2R,4S,5R)-4-fluoro-5-(hydroxymethyl)oxolan-2-yl]-5-tributylstannylpyrimidine-2,4-dione has a molecular weight of 519.25 g/mol, XLogP of 3.21, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,4S,5R)-4-fluoro-5-(hydroxymethyl)oxolan-2-yl]-5-tributylstannylpyrimidine-2,4-dione is sourced from PubChem (CID 121487478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).