1-[(2R,4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-prop-2-enyloxolan-2-yl]-5-methyl-3-(2-trimethylsilylethoxymethyl)pyrimidine-2,4-dione

C25H46N2O5Si2 — CID 10791833

IUPAC1-[(2R,4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-prop-2-enyloxolan-2-yl]-5-methyl-3-(2-trimethylsilylethoxymethyl)pyrimidine-2,4-dione
SMILESC=CC[C@H]1C[C@H](n2cc(C)c(=O)n(COCC[Si](C)(C)C)c2=O)O[C@@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C25H46N2O5Si2/c1-11-12-20-15-22(32-21(20)17-31-34(9,10)25(3,4)5)26-16-19(2)23(28)27(24(26)29)18-30-13-14-33(6,7)8/h11,16,20-22H,1,12-15,17-18H2,2-10H3/t20-,21+,22+/m0/s1
InChIKeyZGBRHQXXGGLRRS-BHDDXSALSA-N
MW510.82 g/mol
LogP5.13
Rot. Bonds11

About 1-[(2R,4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-prop-2-enyloxolan-2-yl]-5-methyl-3-(2-trimethylsilylethoxymethyl)pyrimidine-2,4-dione

1-[(2R,4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-prop-2-enyloxolan-2-yl]-5-methyl-3-(2-trimethylsilylethoxymethyl)pyrimidine-2,4-dione (PubChem CID 10791833) has the molecular formula C25H46N2O5Si2 and a molecular weight of 510.82 g/mol. Its IUPAC name is 1-[(2R,4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-prop-2-enyloxolan-2-yl]-5-methyl-3-(2-trimethylsilylethoxymethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(2R,4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-prop-2-enyloxolan-2-yl]-5-methyl-3-(2-trimethylsilylethoxymethyl)pyrimidine-2,4-dione
PubChem CID10791833
Molecular FormulaC25H46N2O5Si2
Molecular Weight510.82 g/mol
Exact Mass510.29
IUPAC Name1-[(2R,4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-prop-2-enyloxolan-2-yl]-5-methyl-3-(2-trimethylsilylethoxymethyl)pyrimidine-2,4-dione
SMILESC=CC[C@H]1C[C@H](n2cc(C)c(=O)n(COCC[Si](C)(C)C)c2=O)O[C@@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C25H46N2O5Si2/c1-11-12-20-15-22(32-21(20)17-31-34(9,10)25(3,4)5)26-16-19(2)23(28)27(24(26)29)18-30-13-14-33(6,7)8/h11,16,20-22H,1,12-15,17-18H2,2-10H3/t20-,21+,22+/m0/s1
InChIKeyZGBRHQXXGGLRRS-BHDDXSALSA-N
XLogP5.13
TPSA71.69 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.82
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 1-[(2R,4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-prop-2-enyloxolan-2-yl]-5-methyl-3-(2-trimethylsilylethoxymethyl)pyrimidine-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

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-prop-2-enyloxolan-2-yl]-5-methyl-3-(2-trimethylsilylethoxymethyl)pyrimidine-2,4-dione?
The IUPAC name of 1-[(2R,4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-prop-2-enyloxolan-2-yl]-5-methyl-3-(2-trimethylsilylethoxymethyl)pyrimidine-2,4-dione (CID 10791833) is 1-[(2R,4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-prop-2-enyloxolan-2-yl]-5-methyl-3-(2-trimethylsilylethoxymethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 1-[(2R,4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-prop-2-enyloxolan-2-yl]-5-methyl-3-(2-trimethylsilylethoxymethyl)pyrimidine-2,4-dione?
The canonical SMILES for 1-[(2R,4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-prop-2-enyloxolan-2-yl]-5-methyl-3-(2-trimethylsilylethoxymethyl)pyrimidine-2,4-dione is C=CC[C@H]1C[C@H](n2cc(C)c(=O)n(COCC[Si](C)(C)C)c2=O)O[C@@H]1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 1-[(2R,4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-prop-2-enyloxolan-2-yl]-5-methyl-3-(2-trimethylsilylethoxymethyl)pyrimidine-2,4-dione?
The InChIKey is ZGBRHQXXGGLRRS-BHDDXSALSA-N. The full InChI is InChI=1S/C25H46N2O5Si2/c1-11-12-20-15-22(32-21(20)17-31-34(9,10)25(3,4)5)26-16-19(2)23(28)27(24(26)29)18-30-13-14-33(6,7)8/h11,16,20-22H,1,12-15,17-18H2,2-10H3/t20-,21+,22+/m0/s1.
What are the key properties of 1-[(2R,4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-prop-2-enyloxolan-2-yl]-5-methyl-3-(2-trimethylsilylethoxymethyl)pyrimidine-2,4-dione?
1-[(2R,4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-prop-2-enyloxolan-2-yl]-5-methyl-3-(2-trimethylsilylethoxymethyl)pyrimidine-2,4-dione has a molecular weight of 510.82 g/mol, XLogP of 5.13, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-prop-2-enyloxolan-2-yl]-5-methyl-3-(2-trimethylsilylethoxymethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 10791833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).