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

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

1-[(2R,4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione (PubChem CID 102350367) has the molecular formula C24H36N2O6Si and a molecular weight of 476.65 g/mol. Its IUPAC name is 1-[(2R,4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name	1-[(2R,4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione
PubChem CID	102350367
Molecular Formula	C24H36N2O6Si
Molecular Weight	476.65 g/mol
Exact Mass	476.23
IUPAC Name	1-[(2R,4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione
SMILES	COc1cc(C[C@H]2C[C@H](n3cc(C)c(=O)[nH]c3=O)O[C@@H]2CO[Si](C)(C)C(C)(C)C)ccc1O
InChI	InChI=1S/C24H36N2O6Si/c1-15-13-26(23(29)25-22(15)28)21-12-17(10-16-8-9-18(27)19(11-16)30-5)20(32-21)14-31-33(6,7)24(2,3)4/h8-9,11,13,17,20-21,27H,10,12,14H2,1-7H3,(H,25,28,29)/t17-,20+,21+/m0/s1
InChIKey	QUBFGRXHYLSEKS-IOMROCGXSA-N
XLogP	3.73
TPSA	102.78 Å²
H-Bond Donors	2
H-Bond Acceptors	7
Rotatable Bonds	7
Heavy Atoms	33
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	476.65
LogP ≤ 5	3.73
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione?

The IUPAC name of 1-[(2R,4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione (CID 102350367) is 1-[(2R,4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione.

What is the SMILES notation for 1-[(2R,4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione?

The canonical SMILES for 1-[(2R,4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione is COc1cc(C[C@H]2C[C@H](n3cc(C)c(=O)[nH]c3=O)O[C@@H]2CO[Si](C)(C)C(C)(C)C)ccc1O.

What is the InChIKey of 1-[(2R,4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione?

The InChIKey is QUBFGRXHYLSEKS-IOMROCGXSA-N. The full InChI is InChI=1S/C24H36N2O6Si/c1-15-13-26(23(29)25-22(15)28)21-12-17(10-16-8-9-18(27)19(11-16)30-5)20(32-21)14-31-33(6,7)24(2,3)4/h8-9,11,13,17,20-21,27H,10,12,14H2,1-7H3,(H,25,28,29)/t17-,20+,21+/m0/s1.

What are the key properties of 1-[(2R,4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione?

1-[(2R,4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione has a molecular weight of 476.65 g/mol, XLogP of 3.73, 7 rotatable bonds, 2 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-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 102350367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).