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

C25H38N2O6Si — CID 101342561

IUPAC1-[(S)-[tert-butyl(dimethyl)silyl]oxy-[(4S,5R)-2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-yl]methyl]-5-methylpyrimidine-2,4-dione
SMILESCc1cn([C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2OC(C)(C)O[C@@H]2COCc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C25H38N2O6Si/c1-17-14-27(23(29)26-21(17)28)22(33-34(7,8)24(2,3)4)20-19(31-25(5,6)32-20)16-30-15-18-12-10-9-11-13-18/h9-14,19-20,22H,15-16H2,1-8H3,(H,26,28,29)/t19-,20+,22+/m1/s1
InChIKeySNSRGUVSEYNMTK-URVUXULASA-N
MW490.67 g/mol
LogP4.10
Rot. Bonds8

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

1-[(S)-[tert-butyl(dimethyl)silyl]oxy-[(4S,5R)-2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-yl]methyl]-5-methylpyrimidine-2,4-dione (PubChem CID 101342561) has the molecular formula C25H38N2O6Si and a molecular weight of 490.67 g/mol. Its IUPAC name is 1-[(S)-[tert-butyl(dimethyl)silyl]oxy-[(4S,5R)-2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-yl]methyl]-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(S)-[tert-butyl(dimethyl)silyl]oxy-[(4S,5R)-2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-yl]methyl]-5-methylpyrimidine-2,4-dione
PubChem CID101342561
Molecular FormulaC25H38N2O6Si
Molecular Weight490.67 g/mol
Exact Mass490.25
IUPAC Name1-[(S)-[tert-butyl(dimethyl)silyl]oxy-[(4S,5R)-2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-yl]methyl]-5-methylpyrimidine-2,4-dione
SMILESCc1cn([C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2OC(C)(C)O[C@@H]2COCc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C25H38N2O6Si/c1-17-14-27(23(29)26-21(17)28)22(33-34(7,8)24(2,3)4)20-19(31-25(5,6)32-20)16-30-15-18-12-10-9-11-13-18/h9-14,19-20,22H,15-16H2,1-8H3,(H,26,28,29)/t19-,20+,22+/m1/s1
InChIKeySNSRGUVSEYNMTK-URVUXULASA-N
XLogP4.10
TPSA91.78 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.67
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-[(3aR,4R,6R,6aR)-4-(hydroxymethyl)-2,2-dimethyl-6-(phenylmethoxymethyl)-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-yl]-5-methylpyrimidine-2,4-dione
CID 11538973
1-[(2R,3S,4S,5R)-4-[(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropyl]-3-hydroxy-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 10627755
(4R,5S)-4-[chloro(phenylsulfanyl)methyl]-2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolane
CID 135068570
1-[(2R,5R)-5-[[3,5-bis(phenylmethoxy)phenyl]methoxymethyl]-4-[tert-butyl(dimethyl)silyl]oxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 67654342
5-methyl-1-[(5S)-5-(phenylmethoxymethyl)-2,5-dihydrofuran-2-yl]pyrimidine-2,4-dione
CID 139721718
(1R)-1-[(4S,5S)-2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-yl]prop-2-en-1-ol
CID 15358783
(1S)-1-[(4S,5S)-2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-yl]but-3-yn-1-ol
CID 10946196
tert-butyl-dimethyl-[(2R)-4-[(2S,3R)-2-methyl-3-(phenylmethoxymethyl)oxiran-2-yl]but-3-yn-2-yl]oxysilane
CID 15019528
1-[(1R)-1-[(2R,3S)-1-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxyhex-5-en-2-yl]oxyprop-2-enyl]-5-methylpyrimidine-2,4-dione
CID 142510022
1-[(2R,4S,5R)-4-deuterio-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 11037272
(2R)-1-[(4S,5S)-2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-yl]propan-2-ol
CID 71475919
2-[(4S,5S)-2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-yl]acetaldehyde
CID 11149732

Frequently Asked Questions

What is the IUPAC name of 1-[(S)-[tert-butyl(dimethyl)silyl]oxy-[(4S,5R)-2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-yl]methyl]-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-[(S)-[tert-butyl(dimethyl)silyl]oxy-[(4S,5R)-2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-yl]methyl]-5-methylpyrimidine-2,4-dione (CID 101342561) is 1-[(S)-[tert-butyl(dimethyl)silyl]oxy-[(4S,5R)-2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-yl]methyl]-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[(S)-[tert-butyl(dimethyl)silyl]oxy-[(4S,5R)-2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-yl]methyl]-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-[(S)-[tert-butyl(dimethyl)silyl]oxy-[(4S,5R)-2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-yl]methyl]-5-methylpyrimidine-2,4-dione is Cc1cn([C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2OC(C)(C)O[C@@H]2COCc2ccccc2)c(=O)[nH]c1=O.
What is the InChIKey of 1-[(S)-[tert-butyl(dimethyl)silyl]oxy-[(4S,5R)-2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-yl]methyl]-5-methylpyrimidine-2,4-dione?
The InChIKey is SNSRGUVSEYNMTK-URVUXULASA-N. The full InChI is InChI=1S/C25H38N2O6Si/c1-17-14-27(23(29)26-21(17)28)22(33-34(7,8)24(2,3)4)20-19(31-25(5,6)32-20)16-30-15-18-12-10-9-11-13-18/h9-14,19-20,22H,15-16H2,1-8H3,(H,26,28,29)/t19-,20+,22+/m1/s1.
What are the key properties of 1-[(S)-[tert-butyl(dimethyl)silyl]oxy-[(4S,5R)-2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-yl]methyl]-5-methylpyrimidine-2,4-dione?
1-[(S)-[tert-butyl(dimethyl)silyl]oxy-[(4S,5R)-2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-yl]methyl]-5-methylpyrimidine-2,4-dione has a molecular weight of 490.67 g/mol, XLogP of 4.10, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(S)-[tert-butyl(dimethyl)silyl]oxy-[(4S,5R)-2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-yl]methyl]-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 101342561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).