1-[(2S,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-1,3-dioxolan-4-yl]-5-methylpyrimidine-2,4-dione

C16H28N2O5Si — CID 102225742

IUPAC1-[(2S,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-1,3-dioxolan-4-yl]-5-methylpyrimidine-2,4-dione
SMILESCc1cn([C@]2(C)CO[C@H](CO[Si](C)(C)C(C)(C)C)O2)c(=O)[nH]c1=O
InChIInChI=1S/C16H28N2O5Si/c1-11-8-18(14(20)17-13(11)19)16(5)10-21-12(23-16)9-22-24(6,7)15(2,3)4/h8,12H,9-10H2,1-7H3,(H,17,19,20)/t12-,16-/m0/s1
InChIKeyGGAXYDFKNKZDAV-LRDDRELGSA-N
MW356.50 g/mol
LogP1.91
Rot. Bonds4

About 1-[(2S,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-1,3-dioxolan-4-yl]-5-methylpyrimidine-2,4-dione

1-[(2S,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-1,3-dioxolan-4-yl]-5-methylpyrimidine-2,4-dione (PubChem CID 102225742) has the molecular formula C16H28N2O5Si and a molecular weight of 356.50 g/mol. Its IUPAC name is 1-[(2S,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-1,3-dioxolan-4-yl]-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(2S,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-1,3-dioxolan-4-yl]-5-methylpyrimidine-2,4-dione
PubChem CID102225742
Molecular FormulaC16H28N2O5Si
Molecular Weight356.50 g/mol
Exact Mass356.18
IUPAC Name1-[(2S,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-1,3-dioxolan-4-yl]-5-methylpyrimidine-2,4-dione
SMILESCc1cn([C@]2(C)CO[C@H](CO[Si](C)(C)C(C)(C)C)O2)c(=O)[nH]c1=O
InChIInChI=1S/C16H28N2O5Si/c1-11-8-18(14(20)17-13(11)19)16(5)10-21-12(23-16)9-22-24(6,7)15(2,3)4/h8,12H,9-10H2,1-7H3,(H,17,19,20)/t12-,16-/m0/s1
InChIKeyGGAXYDFKNKZDAV-LRDDRELGSA-N
XLogP1.91
TPSA82.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.50
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-amino-1-[(2S,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-1,3-dioxolan-4-yl]pyrimidin-2-one
CID 102225749
1-[(2S,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-phenylsulfanyloxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 11017296
1-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 557070
1-[(2R,3R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 22853714
1-(5-ethyl-4-hydroxy-2-methyloxolan-2-yl)-5-methylpyrimidine-2,4-dione
CID 70864470
1-[(2R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,5-dihydrofuran-2-yl]-5-methylpyrimidine-2,4-dione
CID 163787834
1-[(2R,4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(2-hydroxyethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 15332182
1-[(2R,4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[[[(2R,3S,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-methylphosphinothioyl]oxy-methylphosphoryl]oxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 101010327
1-[(2R,3R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(fluoromethyl)thiolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 177390760
tert-butyl (2R,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)pyrrolidine-1-carboxylate
CID 10646738
1-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 101256369
1-[(2S,4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethynyl-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 16719922

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-1,3-dioxolan-4-yl]-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-[(2S,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-1,3-dioxolan-4-yl]-5-methylpyrimidine-2,4-dione (CID 102225742) is 1-[(2S,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-1,3-dioxolan-4-yl]-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[(2S,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-1,3-dioxolan-4-yl]-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-[(2S,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-1,3-dioxolan-4-yl]-5-methylpyrimidine-2,4-dione is Cc1cn([C@]2(C)CO[C@H](CO[Si](C)(C)C(C)(C)C)O2)c(=O)[nH]c1=O.
What is the InChIKey of 1-[(2S,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-1,3-dioxolan-4-yl]-5-methylpyrimidine-2,4-dione?
The InChIKey is GGAXYDFKNKZDAV-LRDDRELGSA-N. The full InChI is InChI=1S/C16H28N2O5Si/c1-11-8-18(14(20)17-13(11)19)16(5)10-21-12(23-16)9-22-24(6,7)15(2,3)4/h8,12H,9-10H2,1-7H3,(H,17,19,20)/t12-,16-/m0/s1.
What are the key properties of 1-[(2S,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-1,3-dioxolan-4-yl]-5-methylpyrimidine-2,4-dione?
1-[(2S,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-1,3-dioxolan-4-yl]-5-methylpyrimidine-2,4-dione has a molecular weight of 356.50 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-1,3-dioxolan-4-yl]-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 102225742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).