4-[6-amino-9-[[tert-butyl(dimethyl)silyl]oxymethyl]purin-8-yl]butan-1-ol

C16H29N5O2Si — CID 10569967

IUPAC4-[6-amino-9-[[tert-butyl(dimethyl)silyl]oxymethyl]purin-8-yl]butan-1-ol
SMILESCC(C)(C)[Si](C)(C)OCn1c(CCCCO)nc2c(N)ncnc21
InChIInChI=1S/C16H29N5O2Si/c1-16(2,3)24(4,5)23-11-21-12(8-6-7-9-22)20-13-14(17)18-10-19-15(13)21/h10,22H,6-9,11H2,1-5H3,(H2,17,18,19)
InChIKeyPRBBMPZQBBXYMY-UHFFFAOYSA-N
MW351.53 g/mol
LogP2.70
Rot. Bonds7

About 4-[6-amino-9-[[tert-butyl(dimethyl)silyl]oxymethyl]purin-8-yl]butan-1-ol

4-[6-amino-9-[[tert-butyl(dimethyl)silyl]oxymethyl]purin-8-yl]butan-1-ol (PubChem CID 10569967) has the molecular formula C16H29N5O2Si and a molecular weight of 351.53 g/mol. Its IUPAC name is 4-[6-amino-9-[[tert-butyl(dimethyl)silyl]oxymethyl]purin-8-yl]butan-1-ol.

Molecular Properties

Compound Name4-[6-amino-9-[[tert-butyl(dimethyl)silyl]oxymethyl]purin-8-yl]butan-1-ol
PubChem CID10569967
Molecular FormulaC16H29N5O2Si
Molecular Weight351.53 g/mol
Exact Mass351.21
IUPAC Name4-[6-amino-9-[[tert-butyl(dimethyl)silyl]oxymethyl]purin-8-yl]butan-1-ol
SMILESCC(C)(C)[Si](C)(C)OCn1c(CCCCO)nc2c(N)ncnc21
InChIInChI=1S/C16H29N5O2Si/c1-16(2,3)24(4,5)23-11-21-12(8-6-7-9-22)20-13-14(17)18-10-19-15(13)21/h10,22H,6-9,11H2,1-5H3,(H2,17,18,19)
InChIKeyPRBBMPZQBBXYMY-UHFFFAOYSA-N
XLogP2.70
TPSA99.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.53
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[6-amino-9-(2-phenylethyl)purin-8-yl]ethanol
CID 42637848
(3S,4S,5S)-4-(6-aminopurin-9-yl)-5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]oxolan-3-ol
CID 66574369
(2R,3S,5R)-5-(6-amino-8-pentylpurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 512596
9-[(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-8-fluoropurin-6-amine
CID 23656642
(2R,3R,5S)-2-(6-aminopurin-9-yl)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-3-ol
CID 14192244
(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-3-ol
CID 10320127
9-[4-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]purin-6-amine
CID 58657723
[2-[4-[(6-amino-8-butylpurin-9-yl)methyl]phenyl]phenyl] hydrogen carbonate
CID 67902430
(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methoxyoxolan-3-ol
CID 11069295
(2R,3S,4S,5S)-2-(6-aminopurin-9-yl)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(dimethylamino)oxolan-3-ol
CID 146020120
2-[(6-amino-8-bromopurin-9-yl)methoxy]propane-1,3-diol
CID 71324086
1,9-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(4-methylpent-3-enyl)purin-2-one
CID 11813168

Frequently Asked Questions

What is the IUPAC name of 4-[6-amino-9-[[tert-butyl(dimethyl)silyl]oxymethyl]purin-8-yl]butan-1-ol?
The IUPAC name of 4-[6-amino-9-[[tert-butyl(dimethyl)silyl]oxymethyl]purin-8-yl]butan-1-ol (CID 10569967) is 4-[6-amino-9-[[tert-butyl(dimethyl)silyl]oxymethyl]purin-8-yl]butan-1-ol.
What is the SMILES notation for 4-[6-amino-9-[[tert-butyl(dimethyl)silyl]oxymethyl]purin-8-yl]butan-1-ol?
The canonical SMILES for 4-[6-amino-9-[[tert-butyl(dimethyl)silyl]oxymethyl]purin-8-yl]butan-1-ol is CC(C)(C)[Si](C)(C)OCn1c(CCCCO)nc2c(N)ncnc21.
What is the InChIKey of 4-[6-amino-9-[[tert-butyl(dimethyl)silyl]oxymethyl]purin-8-yl]butan-1-ol?
The InChIKey is PRBBMPZQBBXYMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N5O2Si/c1-16(2,3)24(4,5)23-11-21-12(8-6-7-9-22)20-13-14(17)18-10-19-15(13)21/h10,22H,6-9,11H2,1-5H3,(H2,17,18,19).
What are the key properties of 4-[6-amino-9-[[tert-butyl(dimethyl)silyl]oxymethyl]purin-8-yl]butan-1-ol?
4-[6-amino-9-[[tert-butyl(dimethyl)silyl]oxymethyl]purin-8-yl]butan-1-ol has a molecular weight of 351.53 g/mol, XLogP of 2.70, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-amino-9-[[tert-butyl(dimethyl)silyl]oxymethyl]purin-8-yl]butan-1-ol is sourced from PubChem (CID 10569967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).