2-amino-9-[(2R,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-4,5-dihydro-1H-purin-6-one

C16H29N5O4Si — CID 174003568

IUPAC2-amino-9-[(2R,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-4,5-dihydro-1H-purin-6-one
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3C(=O)NC(N)=NC32)C[C@H]1O
InChIInChI=1S/C16H29N5O4Si/c1-16(2,3)26(4,5)24-7-10-9(22)6-11(25-10)21-8-18-12-13(21)19-15(17)20-14(12)23/h8-13,22H,6-7H2,1-5H3,(H3,17,19,20,23)/t9-,10-,11-,12?,13?/m1/s1
InChIKeyZLTUXGVTAFRSTI-OTQSUOKKSA-N
MW383.53 g/mol
LogP-0.03
Rot. Bonds4

About 2-amino-9-[(2R,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-4,5-dihydro-1H-purin-6-one

2-amino-9-[(2R,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-4,5-dihydro-1H-purin-6-one (PubChem CID 174003568) has the molecular formula C16H29N5O4Si and a molecular weight of 383.53 g/mol. Its IUPAC name is 2-amino-9-[(2R,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-4,5-dihydro-1H-purin-6-one.

Molecular Properties

Compound Name2-amino-9-[(2R,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-4,5-dihydro-1H-purin-6-one
PubChem CID174003568
Molecular FormulaC16H29N5O4Si
Molecular Weight383.53 g/mol
Exact Mass383.20
IUPAC Name2-amino-9-[(2R,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-4,5-dihydro-1H-purin-6-one
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3C(=O)NC(N)=NC32)C[C@H]1O
InChIInChI=1S/C16H29N5O4Si/c1-16(2,3)26(4,5)24-7-10-9(22)6-11(25-10)21-8-18-12-13(21)19-15(17)20-14(12)23/h8-13,22H,6-7H2,1-5H3,(H3,17,19,20,23)/t9-,10-,11-,12?,13?/m1/s1
InChIKeyZLTUXGVTAFRSTI-OTQSUOKKSA-N
XLogP-0.03
TPSA121.77 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.53
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-amino-9-[(2R,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-4,5-dihydro-1H-purin-6-one with MolForge

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Related Compounds

4-amino-1-[(2S,4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-5-iodopyrimidin-2-one
CID 176808452
2-amino-9-[(1S,6R,8R,10S,15R,17R)-17-(2-amino-6-oxo-4,5-dihydro-1H-purin-9-yl)-3,12-dihydroxy-3,12-dioxo-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecan-8-yl]-4,5-dihydro-1H-purin-6-one
CID 137465931
(4R,5R)-2-amino-9-[(1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-4,5-dihydro-1H-purin-6-one
CID 99905775
[(3R,5R)-5-(2-amino-6-oxo-4,5-dihydro-1H-purin-9-yl)-2-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxymethyl]oxolan-3-yl] 2-[1-(ethyldisulfanyl)ethyl]benzoate
CID 174194773
2-amino-9-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4,5-dihydro-1H-purin-6-one
CID 3006944
1-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 557070
actinium;1-[(2R,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-5-iodopyrimidine-2,4-dione
CID 59082571
(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-3-ol
CID 10320127
2-amino-9-(2-hydroxyethoxymethyl)-4,5-dihydro-1H-purin-6-one
CID 2784002
6-amino-1-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-3-iodo-5H-pyrrolo[3,2-c]pyridin-4-one;6-amino-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-iodo-5H-pyrrolo[3,2-c]pyridin-4-one
CID 158526187
(2R,5R)-5-(6-amino-4,5-dihydropurin-9-yl)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-3-ol
CID 163795890
N-[3-[4-amino-1-[(2R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-2-oxopyrimidin-5-yl]prop-2-ynyl]-2,2,2-trifluoroacetamide
CID 87338372

Frequently Asked Questions

What is the IUPAC name of 2-amino-9-[(2R,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-4,5-dihydro-1H-purin-6-one?
The IUPAC name of 2-amino-9-[(2R,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-4,5-dihydro-1H-purin-6-one (CID 174003568) is 2-amino-9-[(2R,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-4,5-dihydro-1H-purin-6-one.
What is the SMILES notation for 2-amino-9-[(2R,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-4,5-dihydro-1H-purin-6-one?
The canonical SMILES for 2-amino-9-[(2R,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-4,5-dihydro-1H-purin-6-one is CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3C(=O)NC(N)=NC32)C[C@H]1O.
What is the InChIKey of 2-amino-9-[(2R,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-4,5-dihydro-1H-purin-6-one?
The InChIKey is ZLTUXGVTAFRSTI-OTQSUOKKSA-N. The full InChI is InChI=1S/C16H29N5O4Si/c1-16(2,3)26(4,5)24-7-10-9(22)6-11(25-10)21-8-18-12-13(21)19-15(17)20-14(12)23/h8-13,22H,6-7H2,1-5H3,(H3,17,19,20,23)/t9-,10-,11-,12?,13?/m1/s1.
What are the key properties of 2-amino-9-[(2R,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-4,5-dihydro-1H-purin-6-one?
2-amino-9-[(2R,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-4,5-dihydro-1H-purin-6-one has a molecular weight of 383.53 g/mol, XLogP of -0.03, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-9-[(2R,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-4,5-dihydro-1H-purin-6-one is sourced from PubChem (CID 174003568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).