9-[(2R,3S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-5-(morpholin-4-ylmethyl)oxolan-2-yl]purin-6-amine

C21H36N6O4Si — CID 162155117

IUPAC9-[(2R,3S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-5-(morpholin-4-ylmethyl)oxolan-2-yl]purin-6-amine
SMILESCO[C@H]1C(O[Si](C)(C)C(C)(C)C)[C@@H](CN2CCOCC2)O[C@H]1n1cnc2c(N)ncnc21
InChIInChI=1S/C21H36N6O4Si/c1-21(2,3)32(5,6)31-16-14(11-26-7-9-29-10-8-26)30-20(17(16)28-4)27-13-25-15-18(22)23-12-24-19(15)27/h12-14,16-17,20H,7-11H2,1-6H3,(H2,22,23,24)/t14-,16?,17+,20-/m1/s1
InChIKeyMCPKANOJWOGEAZ-ASQPVTKTSA-N
MW464.64 g/mol
LogP2.04
Rot. Bonds6

About 9-[(2R,3S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-5-(morpholin-4-ylmethyl)oxolan-2-yl]purin-6-amine

9-[(2R,3S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-5-(morpholin-4-ylmethyl)oxolan-2-yl]purin-6-amine (PubChem CID 162155117) has the molecular formula C21H36N6O4Si and a molecular weight of 464.64 g/mol. Its IUPAC name is 9-[(2R,3S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-5-(morpholin-4-ylmethyl)oxolan-2-yl]purin-6-amine.

Molecular Properties

Compound Name9-[(2R,3S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-5-(morpholin-4-ylmethyl)oxolan-2-yl]purin-6-amine
PubChem CID162155117
Molecular FormulaC21H36N6O4Si
Molecular Weight464.64 g/mol
Exact Mass464.26
IUPAC Name9-[(2R,3S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-5-(morpholin-4-ylmethyl)oxolan-2-yl]purin-6-amine
SMILESCO[C@H]1C(O[Si](C)(C)C(C)(C)C)[C@@H](CN2CCOCC2)O[C@H]1n1cnc2c(N)ncnc21
InChIInChI=1S/C21H36N6O4Si/c1-21(2,3)32(5,6)31-16-14(11-26-7-9-29-10-8-26)30-20(17(16)28-4)27-13-25-15-18(22)23-12-24-19(15)27/h12-14,16-17,20H,7-11H2,1-6H3,(H2,22,23,24)/t14-,16?,17+,20-/m1/s1
InChIKeyMCPKANOJWOGEAZ-ASQPVTKTSA-N
XLogP2.04
TPSA109.78 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.64
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

9-[(2R,3R,4R,5S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(chloromethyl)oxolan-2-yl]purin-6-amine
CID 177352538
9-[(2R,3R,4R,5R)-5-(azidomethyl)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-yl]purin-6-amine
CID 91182722
(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methoxyoxolan-3-ol
CID 11069295
[(2R,3R,4S,5R)-5-(6-aminopurin-9-yl)-3,4-dimethoxyoxolan-2-yl]methanol
CID 6481828
9-[(2R,3R,4R,5R)-3,4-dimethoxy-5-(methoxymethyl)oxolan-2-yl]purin-6-amine
CID 56634843
[(2R,3S,4R,5R)-2-(6-aminopurin-9-yl)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-3-yl] acetate
CID 146018019
[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluorooxolan-2-yl]methanol
CID 174057752
N'-[9-[(2R,3S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-5-(morpholin-4-ylmethyl)oxolan-2-yl]-6-oxo-1H-purin-2-yl]-N,N-dimethylmethanimidamide
CID 162458998
9-[(2R,5R)-3-methoxy-4-[(2-methylpropan-2-yl)oxy]-5-[(2-methylpropan-2-yl)oxymethyl]oxolan-2-yl]purin-6-amine
CID 174086586
9-[(2R,4S,5R)-4-azido-3-[tert-butyl(dimethyl)silyl]oxy-5-ethyloxolan-2-yl]purin-6-amine
CID 159630794
9-[(2R,3R,4R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-prop-2-enoxyoxolan-2-yl]purin-6-amine
CID 175677046
(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-4-[tert-butyl(dimethyl)silyl]oxy-5-(hydroxymethyl)oxolan-3-ol;N,N-diethylethanamine
CID 67863411

Frequently Asked Questions

What is the IUPAC name of 9-[(2R,3S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-5-(morpholin-4-ylmethyl)oxolan-2-yl]purin-6-amine?
The IUPAC name of 9-[(2R,3S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-5-(morpholin-4-ylmethyl)oxolan-2-yl]purin-6-amine (CID 162155117) is 9-[(2R,3S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-5-(morpholin-4-ylmethyl)oxolan-2-yl]purin-6-amine.
What is the SMILES notation for 9-[(2R,3S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-5-(morpholin-4-ylmethyl)oxolan-2-yl]purin-6-amine?
The canonical SMILES for 9-[(2R,3S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-5-(morpholin-4-ylmethyl)oxolan-2-yl]purin-6-amine is CO[C@H]1C(O[Si](C)(C)C(C)(C)C)[C@@H](CN2CCOCC2)O[C@H]1n1cnc2c(N)ncnc21.
What is the InChIKey of 9-[(2R,3S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-5-(morpholin-4-ylmethyl)oxolan-2-yl]purin-6-amine?
The InChIKey is MCPKANOJWOGEAZ-ASQPVTKTSA-N. The full InChI is InChI=1S/C21H36N6O4Si/c1-21(2,3)32(5,6)31-16-14(11-26-7-9-29-10-8-26)30-20(17(16)28-4)27-13-25-15-18(22)23-12-24-19(15)27/h12-14,16-17,20H,7-11H2,1-6H3,(H2,22,23,24)/t14-,16?,17+,20-/m1/s1.
What are the key properties of 9-[(2R,3S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-5-(morpholin-4-ylmethyl)oxolan-2-yl]purin-6-amine?
9-[(2R,3S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-5-(morpholin-4-ylmethyl)oxolan-2-yl]purin-6-amine has a molecular weight of 464.64 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(2R,3S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-5-(morpholin-4-ylmethyl)oxolan-2-yl]purin-6-amine is sourced from PubChem (CID 162155117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).