N-[1-[(2S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methoxy-2H-furan-2-yl]-2-oxopyrimidin-4-yl]acetamide

C28H33N3O5Si — CID 72711356

IUPACN-[1-[(2S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methoxy-2H-furan-2-yl]-2-oxopyrimidin-4-yl]acetamide
SMILESCO[C@@]1(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C=C[C@@H](n2ccc(NC(C)=O)nc2=O)O1
InChIInChI=1S/C28H33N3O5Si/c1-21(32)29-24-17-19-31(26(33)30-24)25-16-18-28(34-5,36-25)20-35-37(27(2,3)4,22-12-8-6-9-13-22)23-14-10-7-11-15-23/h6-19,25H,20H2,1-5H3,(H,29,30,32,33)/t25-,28-/m0/s1
InChIKeyUTRMHZYZBRGMNA-LSYYVWMOSA-N
MW519.67 g/mol
LogP3.21
Rot. Bonds8

About N-[1-[(2S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methoxy-2H-furan-2-yl]-2-oxopyrimidin-4-yl]acetamide

N-[1-[(2S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methoxy-2H-furan-2-yl]-2-oxopyrimidin-4-yl]acetamide (PubChem CID 72711356) has the molecular formula C28H33N3O5Si and a molecular weight of 519.67 g/mol. Its IUPAC name is N-[1-[(2S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methoxy-2H-furan-2-yl]-2-oxopyrimidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-[(2S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methoxy-2H-furan-2-yl]-2-oxopyrimidin-4-yl]acetamide
PubChem CID72711356
Molecular FormulaC28H33N3O5Si
Molecular Weight519.67 g/mol
Exact Mass519.22
IUPAC NameN-[1-[(2S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methoxy-2H-furan-2-yl]-2-oxopyrimidin-4-yl]acetamide
SMILESCO[C@@]1(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C=C[C@@H](n2ccc(NC(C)=O)nc2=O)O1
InChIInChI=1S/C28H33N3O5Si/c1-21(32)29-24-17-19-31(26(33)30-24)25-16-18-28(34-5,36-25)20-35-37(27(2,3)4,22-12-8-6-9-13-22)23-14-10-7-11-15-23/h6-19,25H,20H2,1-5H3,(H,29,30,32,33)/t25-,28-/m0/s1
InChIKeyUTRMHZYZBRGMNA-LSYYVWMOSA-N
XLogP3.21
TPSA91.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.67
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[1-[(2R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-prop-2-enyl-2H-furan-2-yl]-2-oxopyrimidin-4-yl]acetamide
CID 10554201
N-[1-[(2R,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,3-oxathiolan-5-yl]-2-oxopyrimidin-4-yl]acetamide
CID 10255748
[(2R,3R)-2-(4-acetamido-2-oxopyrimidin-1-yl)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,3-dihydrofuran-3-yl] acetate
CID 10578522
N-[1-[(3R,5R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(hydroxymethyl)-2-methyl-1,2-oxazolidin-5-yl]-2-oxopyrimidin-4-yl]acetamide
CID 102305717
[(2R,3R,4S,5R)-4-benzoyloxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[2-oxo-4-(propanoylamino)pyrimidin-1-yl]oxolan-3-yl] benzoate
CID 59835259
N-[1-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[(E)-hydroxyiminomethyl]oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide
CID 10509123
N-[1-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[(Z)-2-chloroethenyl]oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide
CID 10580878
N-[1-[(2R,3R,4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-[2-(dimethylaminooxy)ethoxy]-3-hydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide
CID 57150552
N-[1-[(2R,3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-[2,4,6-tri(propan-2-yl)phenyl]sulfanyloxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide
CID 134929680
N-[1-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(1-ethoxyethoxy)oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide
CID 154619293
N-[1-[2-[ethyl(diphenyl)silyl]-1,3-oxathiolan-5-yl]-2-oxopyrimidin-4-yl]acetamide
CID 58813312
[(2S,3aS,5R,6R,6aR)-2-(4-benzamido-2-oxopyrimidin-1-yl)-3a-(3-bromophenyl)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,5,6,6a-tetrahydro-2H-furo[3,2-b]furan-6-yl] acetate
CID 11520675

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methoxy-2H-furan-2-yl]-2-oxopyrimidin-4-yl]acetamide?
The IUPAC name of N-[1-[(2S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methoxy-2H-furan-2-yl]-2-oxopyrimidin-4-yl]acetamide (CID 72711356) is N-[1-[(2S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methoxy-2H-furan-2-yl]-2-oxopyrimidin-4-yl]acetamide.
What is the SMILES notation for N-[1-[(2S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methoxy-2H-furan-2-yl]-2-oxopyrimidin-4-yl]acetamide?
The canonical SMILES for N-[1-[(2S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methoxy-2H-furan-2-yl]-2-oxopyrimidin-4-yl]acetamide is CO[C@@]1(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C=C[C@@H](n2ccc(NC(C)=O)nc2=O)O1.
What is the InChIKey of N-[1-[(2S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methoxy-2H-furan-2-yl]-2-oxopyrimidin-4-yl]acetamide?
The InChIKey is UTRMHZYZBRGMNA-LSYYVWMOSA-N. The full InChI is InChI=1S/C28H33N3O5Si/c1-21(32)29-24-17-19-31(26(33)30-24)25-16-18-28(34-5,36-25)20-35-37(27(2,3)4,22-12-8-6-9-13-22)23-14-10-7-11-15-23/h6-19,25H,20H2,1-5H3,(H,29,30,32,33)/t25-,28-/m0/s1.
What are the key properties of N-[1-[(2S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methoxy-2H-furan-2-yl]-2-oxopyrimidin-4-yl]acetamide?
N-[1-[(2S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methoxy-2H-furan-2-yl]-2-oxopyrimidin-4-yl]acetamide has a molecular weight of 519.67 g/mol, XLogP of 3.21, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methoxy-2H-furan-2-yl]-2-oxopyrimidin-4-yl]acetamide is sourced from PubChem (CID 72711356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).