2-amino-9-[(2R,4S,5R)-5-ethyl-4-methyl-3-trimethylsilyloxyoxolan-2-yl]-1H-purin-6-one

C15H25N5O3Si — CID 136608592

IUPAC2-amino-9-[(2R,4S,5R)-5-ethyl-4-methyl-3-trimethylsilyloxyoxolan-2-yl]-1H-purin-6-one
SMILESCC[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(N)nc32)C(O[Si](C)(C)C)[C@H]1C
InChIInChI=1S/C15H25N5O3Si/c1-6-9-8(2)11(23-24(3,4)5)14(22-9)20-7-17-10-12(20)18-15(16)19-13(10)21/h7-9,11,14H,6H2,1-5H3,(H3,16,18,19,21)/t8-,9+,11?,14+/m0/s1
InChIKeySLQFRDBDBNYNPJ-HEEPLWROSA-N
MW351.48 g/mol
LogP1.87
Rot. Bonds4

About 2-amino-9-[(2R,4S,5R)-5-ethyl-4-methyl-3-trimethylsilyloxyoxolan-2-yl]-1H-purin-6-one

2-amino-9-[(2R,4S,5R)-5-ethyl-4-methyl-3-trimethylsilyloxyoxolan-2-yl]-1H-purin-6-one (PubChem CID 136608592) has the molecular formula C15H25N5O3Si and a molecular weight of 351.48 g/mol. Its IUPAC name is 2-amino-9-[(2R,4S,5R)-5-ethyl-4-methyl-3-trimethylsilyloxyoxolan-2-yl]-1H-purin-6-one.

Molecular Properties

Compound Name2-amino-9-[(2R,4S,5R)-5-ethyl-4-methyl-3-trimethylsilyloxyoxolan-2-yl]-1H-purin-6-one
PubChem CID136608592
Molecular FormulaC15H25N5O3Si
Molecular Weight351.48 g/mol
Exact Mass351.17
IUPAC Name2-amino-9-[(2R,4S,5R)-5-ethyl-4-methyl-3-trimethylsilyloxyoxolan-2-yl]-1H-purin-6-one
SMILESCC[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(N)nc32)C(O[Si](C)(C)C)[C@H]1C
InChIInChI=1S/C15H25N5O3Si/c1-6-9-8(2)11(23-24(3,4)5)14(22-9)20-7-17-10-12(20)18-15(16)19-13(10)21/h7-9,11,14H,6H2,1-5H3,(H3,16,18,19,21)/t8-,9+,11?,14+/m0/s1
InChIKeySLQFRDBDBNYNPJ-HEEPLWROSA-N
XLogP1.87
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.48
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-amino-9-[(2R,4S,5R)-5-ethyl-4-methyl-3-trimethylsilyloxyoxolan-2-yl]-1H-purin-6-one with MolForge

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Launch Full Analysis

Related Compounds

[(2R,4S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-ethyl-4-methoxyoxolan-3-yl] acetate
CID 136994610
[(5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-ethyl-4-methoxyoxolan-3-yl] dihydrogen phosphate
CID 163578547
[(2R,5S)-2-(2-amino-6-oxo-1H-purin-9-yl)-4-methyl-5-[[methyl(oxo)phosphaniumyl]oxymethyl]oxolan-3-yl]oxy-methyl-oxophosphanium
CID 146033931
2-amino-9-[(2S,3S,4R,5R)-3-hydroxy-5-(hydroxymethyl)-4-methyloxolan-2-yl]-1H-purin-6-one
CID 135418169
2-amino-9-[(2R,3S,5S)-3-hydroxy-5-(hydroxymethyl)-4-methyloxolan-2-yl]-1H-purin-6-one
CID 137067944
2-amino-9-[5-(hydroxymethyl)-3-methoxy-4-phosphanyloxyoxolan-2-yl]-1H-purin-6-one
CID 153284814
[(2R,3R,4R)-4-acetyloxy-5-(2-amino-6-oxo-1H-purin-9-yl)-2-(hydroxymethyl)oxolan-3-yl] acetate
CID 135870977
2-amino-9-(3,4-dihydroxy-5-propyloxolan-2-yl)-1H-purin-6-one
CID 137081388
2-amino-9-[(2S,5S)-3-hydroxy-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolan-2-yl]-1H-purin-6-one
CID 174258871
[(2S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-methyl-4-sulfamoyloxyoxolan-2-yl]methoxy-hydroxy-oxophosphanium
CID 146033936
[(2R,3S,5S)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-ethyl-4-(2-methoxyethoxy)oxolan-3-yl] methyl hydrogen phosphate
CID 173465350
2-amino-9-[(2R,3R,4R)-3-hydroxy-4-(hydroxymethyl)oxetan-2-yl]-1H-purin-6-one
CID 135797824

Frequently Asked Questions

What is the IUPAC name of 2-amino-9-[(2R,4S,5R)-5-ethyl-4-methyl-3-trimethylsilyloxyoxolan-2-yl]-1H-purin-6-one?
The IUPAC name of 2-amino-9-[(2R,4S,5R)-5-ethyl-4-methyl-3-trimethylsilyloxyoxolan-2-yl]-1H-purin-6-one (CID 136608592) is 2-amino-9-[(2R,4S,5R)-5-ethyl-4-methyl-3-trimethylsilyloxyoxolan-2-yl]-1H-purin-6-one.
What is the SMILES notation for 2-amino-9-[(2R,4S,5R)-5-ethyl-4-methyl-3-trimethylsilyloxyoxolan-2-yl]-1H-purin-6-one?
The canonical SMILES for 2-amino-9-[(2R,4S,5R)-5-ethyl-4-methyl-3-trimethylsilyloxyoxolan-2-yl]-1H-purin-6-one is CC[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(N)nc32)C(O[Si](C)(C)C)[C@H]1C.
What is the InChIKey of 2-amino-9-[(2R,4S,5R)-5-ethyl-4-methyl-3-trimethylsilyloxyoxolan-2-yl]-1H-purin-6-one?
The InChIKey is SLQFRDBDBNYNPJ-HEEPLWROSA-N. The full InChI is InChI=1S/C15H25N5O3Si/c1-6-9-8(2)11(23-24(3,4)5)14(22-9)20-7-17-10-12(20)18-15(16)19-13(10)21/h7-9,11,14H,6H2,1-5H3,(H3,16,18,19,21)/t8-,9+,11?,14+/m0/s1.
What are the key properties of 2-amino-9-[(2R,4S,5R)-5-ethyl-4-methyl-3-trimethylsilyloxyoxolan-2-yl]-1H-purin-6-one?
2-amino-9-[(2R,4S,5R)-5-ethyl-4-methyl-3-trimethylsilyloxyoxolan-2-yl]-1H-purin-6-one has a molecular weight of 351.48 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-9-[(2R,4S,5R)-5-ethyl-4-methyl-3-trimethylsilyloxyoxolan-2-yl]-1H-purin-6-one is sourced from PubChem (CID 136608592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).