6-[bromomethyl(dimethyl)silyl]-1-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-2,3-dihydrofuran-5-yl]pyrimidine-2,4-dione

C25H47BrN2O5Si3 — CID 11227375

IUPAC6-[bromomethyl(dimethyl)silyl]-1-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-2,3-dihydrofuran-5-yl]pyrimidine-2,4-dione
SMILESCC1=C(n2c([Si](C)(C)CBr)cc(=O)[nH]c2=O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C25H47BrN2O5Si3/c1-17-21(33-36(12,13)25(5,6)7)18(15-31-35(10,11)24(2,3)4)32-22(17)28-20(34(8,9)16-26)14-19(29)27-23(28)30/h14,18,21H,15-16H2,1-13H3,(H,27,29,30)/t18-,21+/m1/s1
InChIKeyFEIROHXOTKAQIP-NQIIRXRSSA-N
MW619.82 g/mol
LogP5.39
Rot. Bonds8

About 6-[bromomethyl(dimethyl)silyl]-1-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-2,3-dihydrofuran-5-yl]pyrimidine-2,4-dione

6-[bromomethyl(dimethyl)silyl]-1-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-2,3-dihydrofuran-5-yl]pyrimidine-2,4-dione (PubChem CID 11227375) has the molecular formula C25H47BrN2O5Si3 and a molecular weight of 619.82 g/mol. Its IUPAC name is 6-[bromomethyl(dimethyl)silyl]-1-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-2,3-dihydrofuran-5-yl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[bromomethyl(dimethyl)silyl]-1-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-2,3-dihydrofuran-5-yl]pyrimidine-2,4-dione
PubChem CID11227375
Molecular FormulaC25H47BrN2O5Si3
Molecular Weight619.82 g/mol
Exact Mass618.20
IUPAC Name6-[bromomethyl(dimethyl)silyl]-1-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-2,3-dihydrofuran-5-yl]pyrimidine-2,4-dione
SMILESCC1=C(n2c([Si](C)(C)CBr)cc(=O)[nH]c2=O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C25H47BrN2O5Si3/c1-17-21(33-36(12,13)25(5,6)7)18(15-31-35(10,11)24(2,3)4)32-22(17)28-20(34(8,9)16-26)14-19(29)27-23(28)30/h14,18,21H,15-16H2,1-13H3,(H,27,29,30)/t18-,21+/m1/s1
InChIKeyFEIROHXOTKAQIP-NQIIRXRSSA-N
XLogP5.39
TPSA82.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500619.82
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-phenyl-2,3-dihydrofuran-5-yl]pyrimidine-2,4-dione
CID 15403929
(2R,3S,4R,6R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,8,8-trimethyl-5-oxa-1,12-diaza-8-silatricyclo[7.4.0.02,6]tridec-9-ene-11,13-dione
CID 11376152
(2Z)-2-[4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2,4-dioxopyrimidin-1-yl)oxolan-3-ylidene]acetonitrile
CID 5469271
1-[(2R,4R,5R)-3,3-dibromo-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]pyrimidine-2,4-dione
CID 141489547
1-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-5-deuteriopyrimidine-2,4-dione
CID 14311092
3-[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-1,3,5-triazepane-2,4,6,7-tetrone
CID 135065849
3-[(3aR,4R,6R,6aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxy-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-2,6-dioxopyrimidine-4-carbaldehyde
CID 10862880
1-[(2R,3R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluorooxolan-2-yl]pyrimidine-2,4-dione
CID 174010647
1-[(3aR,4R,6R,6aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-6-(dimethylamino)pyrimidine-2,4-dione
CID 67006499
[4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl] methanesulfonate
CID 174108056
[(2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl] methanesulfonate
CID 174108053
(2E)-2-[4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(2,4-dioxopyrimidin-1-yl)oxolan-3-ylidene]acetonitrile
CID 5469825

Frequently Asked Questions

What is the IUPAC name of 6-[bromomethyl(dimethyl)silyl]-1-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-2,3-dihydrofuran-5-yl]pyrimidine-2,4-dione?
The IUPAC name of 6-[bromomethyl(dimethyl)silyl]-1-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-2,3-dihydrofuran-5-yl]pyrimidine-2,4-dione (CID 11227375) is 6-[bromomethyl(dimethyl)silyl]-1-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-2,3-dihydrofuran-5-yl]pyrimidine-2,4-dione.
What is the SMILES notation for 6-[bromomethyl(dimethyl)silyl]-1-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-2,3-dihydrofuran-5-yl]pyrimidine-2,4-dione?
The canonical SMILES for 6-[bromomethyl(dimethyl)silyl]-1-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-2,3-dihydrofuran-5-yl]pyrimidine-2,4-dione is CC1=C(n2c([Si](C)(C)CBr)cc(=O)[nH]c2=O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 6-[bromomethyl(dimethyl)silyl]-1-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-2,3-dihydrofuran-5-yl]pyrimidine-2,4-dione?
The InChIKey is FEIROHXOTKAQIP-NQIIRXRSSA-N. The full InChI is InChI=1S/C25H47BrN2O5Si3/c1-17-21(33-36(12,13)25(5,6)7)18(15-31-35(10,11)24(2,3)4)32-22(17)28-20(34(8,9)16-26)14-19(29)27-23(28)30/h14,18,21H,15-16H2,1-13H3,(H,27,29,30)/t18-,21+/m1/s1.
What are the key properties of 6-[bromomethyl(dimethyl)silyl]-1-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-2,3-dihydrofuran-5-yl]pyrimidine-2,4-dione?
6-[bromomethyl(dimethyl)silyl]-1-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-2,3-dihydrofuran-5-yl]pyrimidine-2,4-dione has a molecular weight of 619.82 g/mol, XLogP of 5.39, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[bromomethyl(dimethyl)silyl]-1-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-2,3-dihydrofuran-5-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 11227375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).