1-[(2R,4S,5S)-4-azido-5-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-3,5-dimethylpyrimidine-2,4-dione

C19H33N5O4Si — CID 10251724

IUPAC1-[(2R,4S,5S)-4-azido-5-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-3,5-dimethylpyrimidine-2,4-dione
SMILESCc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO[Si](C)(C)C(C)(C)C(C)C)O2)c(=O)n(C)c1=O
InChIInChI=1S/C19H33N5O4Si/c1-12(2)19(4,5)29(7,8)27-11-15-14(21-22-20)9-16(28-15)24-10-13(3)17(25)23(6)18(24)26/h10,12,14-16H,9,11H2,1-8H3/t14-,15+,16+/m0/s1
InChIKeyLJFSPRZKLWDYHJ-ARFHVFGLSA-N
MW423.59 g/mol
LogP3.48
Rot. Bonds7

About 1-[(2R,4S,5S)-4-azido-5-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-3,5-dimethylpyrimidine-2,4-dione

1-[(2R,4S,5S)-4-azido-5-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-3,5-dimethylpyrimidine-2,4-dione (PubChem CID 10251724) has the molecular formula C19H33N5O4Si and a molecular weight of 423.59 g/mol. Its IUPAC name is 1-[(2R,4S,5S)-4-azido-5-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-3,5-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(2R,4S,5S)-4-azido-5-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-3,5-dimethylpyrimidine-2,4-dione
PubChem CID10251724
Molecular FormulaC19H33N5O4Si
Molecular Weight423.59 g/mol
Exact Mass423.23
IUPAC Name1-[(2R,4S,5S)-4-azido-5-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-3,5-dimethylpyrimidine-2,4-dione
SMILESCc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO[Si](C)(C)C(C)(C)C(C)C)O2)c(=O)n(C)c1=O
InChIInChI=1S/C19H33N5O4Si/c1-12(2)19(4,5)29(7,8)27-11-15-14(21-22-20)9-16(28-15)24-10-13(3)17(25)23(6)18(24)26/h10,12,14-16H,9,11H2,1-8H3/t14-,15+,16+/m0/s1
InChIKeyLJFSPRZKLWDYHJ-ARFHVFGLSA-N
XLogP3.48
TPSA111.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.59
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

1-[4-azido-5-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 14311018
methyl 2-[3-[(2R,4S,5S)-4-azido-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-5-methyl-2,6-dioxopyrimidin-1-yl]acetate
CID 15958332
1-[(2R,4S,5S)-4-azido-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-3-benzoyl-5-methylpyrimidine-2,4-dione
CID 50942260
1-[(2R,4S,5S)-4-azido-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]pyrimidine-2,4-dione
CID 10785196
1-[4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-3-nitropyrimidine-2,4-dione
CID 86573293
1-[(2R,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-3-prop-2-enylpyrimidine-2,4-dione
CID 21145830
1-[(2S,4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,5-dimethylpyrimidine-2,4-dione
CID 6990676
1-[(2R,4S,5R)-5-(hydroxymethyl)-4-methoxyoxolan-2-yl]-3,5-dimethylpyrimidine-2,4-dione
CID 121007446
[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-[(2-methylpropan-2-yl)oxy]-oxophosphanium
CID 11234580
[3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl phosphate
CID 22263506
4-amino-1-[(2S,4S,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one
CID 26433555
[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-carbamoylphosphinic acid
CID 11703486

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,4S,5S)-4-azido-5-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-3,5-dimethylpyrimidine-2,4-dione?
The IUPAC name of 1-[(2R,4S,5S)-4-azido-5-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-3,5-dimethylpyrimidine-2,4-dione (CID 10251724) is 1-[(2R,4S,5S)-4-azido-5-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-3,5-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[(2R,4S,5S)-4-azido-5-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-3,5-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 1-[(2R,4S,5S)-4-azido-5-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-3,5-dimethylpyrimidine-2,4-dione is Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO[Si](C)(C)C(C)(C)C(C)C)O2)c(=O)n(C)c1=O.
What is the InChIKey of 1-[(2R,4S,5S)-4-azido-5-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-3,5-dimethylpyrimidine-2,4-dione?
The InChIKey is LJFSPRZKLWDYHJ-ARFHVFGLSA-N. The full InChI is InChI=1S/C19H33N5O4Si/c1-12(2)19(4,5)29(7,8)27-11-15-14(21-22-20)9-16(28-15)24-10-13(3)17(25)23(6)18(24)26/h10,12,14-16H,9,11H2,1-8H3/t14-,15+,16+/m0/s1.
What are the key properties of 1-[(2R,4S,5S)-4-azido-5-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-3,5-dimethylpyrimidine-2,4-dione?
1-[(2R,4S,5S)-4-azido-5-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-3,5-dimethylpyrimidine-2,4-dione has a molecular weight of 423.59 g/mol, XLogP of 3.48, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,4S,5S)-4-azido-5-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-3,5-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 10251724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).