1-[(2S,3R,4S,5R)-2-dimethylsilyl-3,4-dihydroxy-5-[(2-methylpropan-2-yl)oxymethyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione

C16H28N2O6Si — CID 154143591

IUPAC1-[(2S,3R,4S,5R)-2-dimethylsilyl-3,4-dihydroxy-5-[(2-methylpropan-2-yl)oxymethyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione
SMILESCc1cn([C@]2([SiH](C)C)O[C@H](COC(C)(C)C)[C@@H](O)[C@H]2O)c(=O)[nH]c1=O
InChIInChI=1S/C16H28N2O6Si/c1-9-7-18(14(22)17-13(9)21)16(25(5)6)12(20)11(19)10(24-16)8-23-15(2,3)4/h7,10-12,19-20,25H,8H2,1-6H3,(H,17,21,22)/t10-,11-,12-,16+/m1/s1
InChIKeyISSPLPPXSXOJBM-QHSOUUPTSA-N
MW372.49 g/mol
LogP-0.54
Rot. Bonds4

About 1-[(2S,3R,4S,5R)-2-dimethylsilyl-3,4-dihydroxy-5-[(2-methylpropan-2-yl)oxymethyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione

1-[(2S,3R,4S,5R)-2-dimethylsilyl-3,4-dihydroxy-5-[(2-methylpropan-2-yl)oxymethyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione (PubChem CID 154143591) has the molecular formula C16H28N2O6Si and a molecular weight of 372.49 g/mol. Its IUPAC name is 1-[(2S,3R,4S,5R)-2-dimethylsilyl-3,4-dihydroxy-5-[(2-methylpropan-2-yl)oxymethyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(2S,3R,4S,5R)-2-dimethylsilyl-3,4-dihydroxy-5-[(2-methylpropan-2-yl)oxymethyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione
PubChem CID154143591
Molecular FormulaC16H28N2O6Si
Molecular Weight372.49 g/mol
Exact Mass372.17
IUPAC Name1-[(2S,3R,4S,5R)-2-dimethylsilyl-3,4-dihydroxy-5-[(2-methylpropan-2-yl)oxymethyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione
SMILESCc1cn([C@]2([SiH](C)C)O[C@H](COC(C)(C)C)[C@@H](O)[C@H]2O)c(=O)[nH]c1=O
InChIInChI=1S/C16H28N2O6Si/c1-9-7-18(14(22)17-13(9)21)16(25(5)6)12(20)11(19)10(24-16)8-23-15(2,3)4/h7,10-12,19-20,25H,8H2,1-6H3,(H,17,21,22)/t10-,11-,12-,16+/m1/s1
InChIKeyISSPLPPXSXOJBM-QHSOUUPTSA-N
XLogP-0.54
TPSA113.78 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 5-0.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 1-[(2S,3R,4S,5R)-2-dimethylsilyl-3,4-dihydroxy-5-[(2-methylpropan-2-yl)oxymethyl]oxolan-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-[(2S,3R,4R,5R)-3-bromo-2-diphenylsilyl-4-hydroxy-5-[(2-methylpropan-2-yl)oxymethyl]oxolan-2-yl]-5-(fluoromethyl)pyrimidine-2,4-dione
CID 173401883
1-[(2S,4S,5S)-2-diphenylsilyl-4-(3-hydroxypropyl)-5-[(2-methylpropan-2-yl)oxymethyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 173294857
1-[(2S,3R,4S,5R)-2-diphenylsilyl-3-hydroxy-4-[(2-methylpropan-2-yl)oxy]-5-[(2-methylpropan-2-yl)oxymethyl]oxolan-2-yl]-5-(fluoromethyl)pyrimidine-2,4-dione
CID 173401877
1-[(2S,4S,5R)-2-dimethylsilyl-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 174922887
1-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-(1-methoxyethoxy)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 166771906
1-(5-ethyl-4-hydroxy-2-methyloxolan-2-yl)-5-methylpyrimidine-2,4-dione
CID 70864470
1-[(2S,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-2-dimethylsilyl-4-hydroxy-3-[(2-methylpropan-2-yl)oxy]oxolan-2-yl]pyrimidine-2,4-dione
CID 173209086
1-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-(methoxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 67593732
1-[(2S,4S,5R)-2-diphenylsilyl-4-hydroxy-5-[(2-methylpropan-2-yl)oxymethyl]oxolan-2-yl]-5-(fluoromethyl)pyrimidine-2,4-dione
CID 173401981
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-(3-oxoprop-2-enyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 174788680
1-[(2S,4S,5R)-4-hydroxy-5-(methylperoxymethyl)-2-trityloxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 87661339
1-[(2S,4S,5R)-4-hydroxy-5-(methoxymethyl)-2-(tritylamino)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 68841145

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,3R,4S,5R)-2-dimethylsilyl-3,4-dihydroxy-5-[(2-methylpropan-2-yl)oxymethyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-[(2S,3R,4S,5R)-2-dimethylsilyl-3,4-dihydroxy-5-[(2-methylpropan-2-yl)oxymethyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione (CID 154143591) is 1-[(2S,3R,4S,5R)-2-dimethylsilyl-3,4-dihydroxy-5-[(2-methylpropan-2-yl)oxymethyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[(2S,3R,4S,5R)-2-dimethylsilyl-3,4-dihydroxy-5-[(2-methylpropan-2-yl)oxymethyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-[(2S,3R,4S,5R)-2-dimethylsilyl-3,4-dihydroxy-5-[(2-methylpropan-2-yl)oxymethyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione is Cc1cn([C@]2([SiH](C)C)O[C@H](COC(C)(C)C)[C@@H](O)[C@H]2O)c(=O)[nH]c1=O.
What is the InChIKey of 1-[(2S,3R,4S,5R)-2-dimethylsilyl-3,4-dihydroxy-5-[(2-methylpropan-2-yl)oxymethyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione?
The InChIKey is ISSPLPPXSXOJBM-QHSOUUPTSA-N. The full InChI is InChI=1S/C16H28N2O6Si/c1-9-7-18(14(22)17-13(9)21)16(25(5)6)12(20)11(19)10(24-16)8-23-15(2,3)4/h7,10-12,19-20,25H,8H2,1-6H3,(H,17,21,22)/t10-,11-,12-,16+/m1/s1.
What are the key properties of 1-[(2S,3R,4S,5R)-2-dimethylsilyl-3,4-dihydroxy-5-[(2-methylpropan-2-yl)oxymethyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione?
1-[(2S,3R,4S,5R)-2-dimethylsilyl-3,4-dihydroxy-5-[(2-methylpropan-2-yl)oxymethyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione has a molecular weight of 372.49 g/mol, XLogP of -0.54, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,3R,4S,5R)-2-dimethylsilyl-3,4-dihydroxy-5-[(2-methylpropan-2-yl)oxymethyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 154143591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).