1-[(2R,5R)-5-[[butyl(dimethyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione

C16H28N2O5Si — CID 67779995

IUPAC1-[(2R,5R)-5-[[butyl(dimethyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
SMILESCCCC[Si](C)(C)OC[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)CC1O
InChIInChI=1S/C16H28N2O5Si/c1-5-6-7-24(3,4)22-10-13-12(19)8-14(23-13)18-9-11(2)15(20)17-16(18)21/h9,12-14,19H,5-8,10H2,1-4H3,(H,17,20,21)/t12?,13-,14-/m1/s1
InChIKeyNOSUYYBUDMNXII-ILMHWDKJSA-N
MW356.50 g/mol
LogP1.52
Rot. Bonds7

About 1-[(2R,5R)-5-[[butyl(dimethyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione

1-[(2R,5R)-5-[[butyl(dimethyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione (PubChem CID 67779995) has the molecular formula C16H28N2O5Si and a molecular weight of 356.50 g/mol. Its IUPAC name is 1-[(2R,5R)-5-[[butyl(dimethyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(2R,5R)-5-[[butyl(dimethyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
PubChem CID67779995
Molecular FormulaC16H28N2O5Si
Molecular Weight356.50 g/mol
Exact Mass356.18
IUPAC Name1-[(2R,5R)-5-[[butyl(dimethyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
SMILESCCCC[Si](C)(C)OC[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)CC1O
InChIInChI=1S/C16H28N2O5Si/c1-5-6-7-24(3,4)22-10-13-12(19)8-14(23-13)18-9-11(2)15(20)17-16(18)21/h9,12-14,19H,5-8,10H2,1-4H3,(H,17,20,21)/t12?,13-,14-/m1/s1
InChIKeyNOSUYYBUDMNXII-ILMHWDKJSA-N
XLogP1.52
TPSA93.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.50
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-[(2R,5R)-5-[[butyl(dimethyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-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

Related Compounds

1-[(2R,4S,5R)-4-hydroxy-5-(pentadecoxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 102464292
1-[(2S,4R,5S)-4-hydroxy-5-(methoxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 90702057
1-[(4S,5R)-4-hydroxy-5-(methoxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 68952088
1-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 557070
[(2R,3R,5S)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate
CID 20711568
[(2R,3R,5R)-3-hydroxy-5-(5-(113C)methyl-2,4-dioxo(2,4,5,6-13C4)pyrimidin-1-yl)(2,3,4,5-13C4)oxolan-2-yl](113C)methyl dihydrogen phosphate
CID 169494068
[3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl acetate
CID 14188749
[(2S,5S)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate
CID 133126478
1-[(2R,4S,5R)-5-[[tert-butyl-(2,2-dimethylpropyl)-methylsilyl]oxymethyl]-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 70222865
[hydroxy-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] pentyl hydrogen phosphate
CID 175676040
CID 18531019
CID 18531019
bis[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl] hydrogen phosphate
CID 3035025

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,5R)-5-[[butyl(dimethyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-[(2R,5R)-5-[[butyl(dimethyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione (CID 67779995) is 1-[(2R,5R)-5-[[butyl(dimethyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[(2R,5R)-5-[[butyl(dimethyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-[(2R,5R)-5-[[butyl(dimethyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione is CCCC[Si](C)(C)OC[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)CC1O.
What is the InChIKey of 1-[(2R,5R)-5-[[butyl(dimethyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione?
The InChIKey is NOSUYYBUDMNXII-ILMHWDKJSA-N. The full InChI is InChI=1S/C16H28N2O5Si/c1-5-6-7-24(3,4)22-10-13-12(19)8-14(23-13)18-9-11(2)15(20)17-16(18)21/h9,12-14,19H,5-8,10H2,1-4H3,(H,17,20,21)/t12?,13-,14-/m1/s1.
What are the key properties of 1-[(2R,5R)-5-[[butyl(dimethyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione?
1-[(2R,5R)-5-[[butyl(dimethyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione has a molecular weight of 356.50 g/mol, XLogP of 1.52, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,5R)-5-[[butyl(dimethyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 67779995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).