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

C30H35N3O4Si — CID 10554201

IUPACN-[1-[(2R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-prop-2-enyl-2H-furan-2-yl]-2-oxopyrimidin-4-yl]acetamide
SMILESC=CC[C@@]1(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C=C[C@H](n2ccc(NC(C)=O)nc2=O)O1
InChIInChI=1S/C30H35N3O4Si/c1-6-19-30(20-17-27(37-30)33-21-18-26(31-23(2)34)32-28(33)35)22-36-38(29(3,4)5,24-13-9-7-10-14-24)25-15-11-8-12-16-25/h6-18,20-21,27H,1,19,22H2,2-5H3,(H,31,32,34,35)/t27-,30+/m1/s1
InChIKeyPFRLGSPRKRNTMT-OFSOJUDTSA-N
MW529.71 g/mol
LogP4.18
Rot. Bonds9

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

N-[1-[(2R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-prop-2-enyl-2H-furan-2-yl]-2-oxopyrimidin-4-yl]acetamide (PubChem CID 10554201) has the molecular formula C30H35N3O4Si and a molecular weight of 529.71 g/mol. Its IUPAC name is N-[1-[(2R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-prop-2-enyl-2H-furan-2-yl]-2-oxopyrimidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-[(2R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-prop-2-enyl-2H-furan-2-yl]-2-oxopyrimidin-4-yl]acetamide
PubChem CID10554201
Molecular FormulaC30H35N3O4Si
Molecular Weight529.71 g/mol
Exact Mass529.24
IUPAC NameN-[1-[(2R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-prop-2-enyl-2H-furan-2-yl]-2-oxopyrimidin-4-yl]acetamide
SMILESC=CC[C@@]1(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C=C[C@H](n2ccc(NC(C)=O)nc2=O)O1
InChIInChI=1S/C30H35N3O4Si/c1-6-19-30(20-17-27(37-30)33-21-18-26(31-23(2)34)32-28(33)35)22-36-38(29(3,4)5,24-13-9-7-10-14-24)25-15-11-8-12-16-25/h6-18,20-21,27H,1,19,22H2,2-5H3,(H,31,32,34,35)/t27-,30+/m1/s1
InChIKeyPFRLGSPRKRNTMT-OFSOJUDTSA-N
XLogP4.18
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500529.71
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-[(2S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methoxy-2H-furan-2-yl]-2-oxopyrimidin-4-yl]acetamide
CID 72711356
9-[(2R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-prop-2-enyl-2H-furan-2-yl]-1H-purin-6-one
CID 135480219
[(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-[(2R,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,3-oxathiolan-5-yl]-2-oxopyrimidin-4-yl]acetamide
CID 10255748
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-[(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,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
[(2R,5R)-2-(6-oxo-1H-purin-9-yl)-5-prop-2-enyl-2H-furan-5-yl]methyl benzoate
CID 136694663
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
4-amino-1-[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-ethenyl-3,3-difluorooxolan-2-yl]pyrimidin-2-one
CID 175677908

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-prop-2-enyl-2H-furan-2-yl]-2-oxopyrimidin-4-yl]acetamide?
The IUPAC name of 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) is N-[1-[(2R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-prop-2-enyl-2H-furan-2-yl]-2-oxopyrimidin-4-yl]acetamide.
What is the SMILES notation for N-[1-[(2R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-prop-2-enyl-2H-furan-2-yl]-2-oxopyrimidin-4-yl]acetamide?
The canonical SMILES for N-[1-[(2R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-prop-2-enyl-2H-furan-2-yl]-2-oxopyrimidin-4-yl]acetamide is C=CC[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-[(2R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-prop-2-enyl-2H-furan-2-yl]-2-oxopyrimidin-4-yl]acetamide?
The InChIKey is PFRLGSPRKRNTMT-OFSOJUDTSA-N. The full InChI is InChI=1S/C30H35N3O4Si/c1-6-19-30(20-17-27(37-30)33-21-18-26(31-23(2)34)32-28(33)35)22-36-38(29(3,4)5,24-13-9-7-10-14-24)25-15-11-8-12-16-25/h6-18,20-21,27H,1,19,22H2,2-5H3,(H,31,32,34,35)/t27-,30+/m1/s1.
What are the key properties of N-[1-[(2R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-prop-2-enyl-2H-furan-2-yl]-2-oxopyrimidin-4-yl]acetamide?
N-[1-[(2R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-prop-2-enyl-2H-furan-2-yl]-2-oxopyrimidin-4-yl]acetamide has a molecular weight of 529.71 g/mol, XLogP of 4.18, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-prop-2-enyl-2H-furan-2-yl]-2-oxopyrimidin-4-yl]acetamide is sourced from PubChem (CID 10554201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).