9-[4-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]purin-6-amine

C15H27N5OSi — CID 58657723

IUPAC9-[4-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]purin-6-amine
SMILESCC(CCO[Si](C)(C)C(C)(C)C)n1cnc2c(N)ncnc21
InChIInChI=1S/C15H27N5OSi/c1-11(7-8-21-22(5,6)15(2,3)4)20-10-19-12-13(16)17-9-18-14(12)20/h9-11H,7-8H2,1-6H3,(H2,16,17,18)
InChIKeyMDELCJLBDSGTTJ-UHFFFAOYSA-N
MW321.50 g/mol
LogP3.38
Rot. Bonds5

About 9-[4-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]purin-6-amine

9-[4-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]purin-6-amine (PubChem CID 58657723) has the molecular formula C15H27N5OSi and a molecular weight of 321.50 g/mol. Its IUPAC name is 9-[4-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]purin-6-amine.

Molecular Properties

Compound Name9-[4-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]purin-6-amine
PubChem CID58657723
Molecular FormulaC15H27N5OSi
Molecular Weight321.50 g/mol
Exact Mass321.20
IUPAC Name9-[4-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]purin-6-amine
SMILESCC(CCO[Si](C)(C)C(C)(C)C)n1cnc2c(N)ncnc21
InChIInChI=1S/C15H27N5OSi/c1-11(7-8-21-22(5,6)15(2,3)4)20-10-19-12-13(16)17-9-18-14(12)20/h9-11H,7-8H2,1-6H3,(H2,16,17,18)
InChIKeyMDELCJLBDSGTTJ-UHFFFAOYSA-N
XLogP3.38
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.50
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

9-[(2S,3R)-2-[tert-butyl(dimethyl)silyl]oxyoctan-3-yl]purin-6-amine
CID 67145030
9-[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]butyl]purin-6-amine
CID 12994167
9-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dihydrofuran-2-yl]purin-6-amine
CID 11533052
(3S,4S,5S)-4-(6-aminopurin-9-yl)-5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]oxolan-3-ol
CID 66574369
9-(1-aminopentyl)purin-6-amine
CID 174938588
2-(6-aminopurin-9-yl)pentane-1,4-diol
CID 58657770
(2S,3S)-3-(6-aminopurin-9-yl)hexan-2-ol
CID 67145035
9-[1-[tert-butyl(dimethyl)silyl]oxy-4-(diethoxyphosphorylmethoxy)butan-2-yl]oxypurin-6-amine
CID 19993546
(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-3-ol
CID 10320127
(2R,3R,5S)-2-(6-aminopurin-9-yl)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-3-ol
CID 14192244
(2R)-2-amino-2-(6-aminopurin-9-yl)acetic acid
CID 40601282
9-[1-[(3S)-1,2-dimethoxypentan-3-yl]oxyethyl]purin-6-amine
CID 173465414

Frequently Asked Questions

What is the IUPAC name of 9-[4-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]purin-6-amine?
The IUPAC name of 9-[4-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]purin-6-amine (CID 58657723) is 9-[4-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]purin-6-amine.
What is the SMILES notation for 9-[4-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]purin-6-amine?
The canonical SMILES for 9-[4-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]purin-6-amine is CC(CCO[Si](C)(C)C(C)(C)C)n1cnc2c(N)ncnc21.
What is the InChIKey of 9-[4-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]purin-6-amine?
The InChIKey is MDELCJLBDSGTTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5OSi/c1-11(7-8-21-22(5,6)15(2,3)4)20-10-19-12-13(16)17-9-18-14(12)20/h9-11H,7-8H2,1-6H3,(H2,16,17,18).
What are the key properties of 9-[4-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]purin-6-amine?
9-[4-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]purin-6-amine has a molecular weight of 321.50 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]purin-6-amine is sourced from PubChem (CID 58657723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).