3-[2-[tert-butyl(dimethyl)silyl]oxyethoxymethyl]-6-methyl-5H-imidazo[1,2-a]purin-9-one

C17H27N5O3Si — CID 11047082

IUPAC3-[2-[tert-butyl(dimethyl)silyl]oxyethoxymethyl]-6-methyl-5H-imidazo[1,2-a]purin-9-one
SMILESCc1cn2c(=O)c3ncn(COCCO[Si](C)(C)C(C)(C)C)c3nc2[nH]1
InChIInChI=1S/C17H27N5O3Si/c1-12-9-22-15(23)13-14(20-16(22)19-12)21(10-18-13)11-24-7-8-25-26(5,6)17(2,3)4/h9-10H,7-8,11H2,1-6H3,(H,19,20)
InChIKeyBAOFWJVNCAZHPD-UHFFFAOYSA-N
MW377.52 g/mol
LogP2.68
Rot. Bonds6

About 3-[2-[tert-butyl(dimethyl)silyl]oxyethoxymethyl]-6-methyl-5H-imidazo[1,2-a]purin-9-one

3-[2-[tert-butyl(dimethyl)silyl]oxyethoxymethyl]-6-methyl-5H-imidazo[1,2-a]purin-9-one (PubChem CID 11047082) has the molecular formula C17H27N5O3Si and a molecular weight of 377.52 g/mol. Its IUPAC name is 3-[2-[tert-butyl(dimethyl)silyl]oxyethoxymethyl]-6-methyl-5H-imidazo[1,2-a]purin-9-one.

Molecular Properties

Compound Name3-[2-[tert-butyl(dimethyl)silyl]oxyethoxymethyl]-6-methyl-5H-imidazo[1,2-a]purin-9-one
PubChem CID11047082
Molecular FormulaC17H27N5O3Si
Molecular Weight377.52 g/mol
Exact Mass377.19
IUPAC Name3-[2-[tert-butyl(dimethyl)silyl]oxyethoxymethyl]-6-methyl-5H-imidazo[1,2-a]purin-9-one
SMILESCc1cn2c(=O)c3ncn(COCCO[Si](C)(C)C(C)(C)C)c3nc2[nH]1
InChIInChI=1S/C17H27N5O3Si/c1-12-9-22-15(23)13-14(20-16(22)19-12)21(10-18-13)11-24-7-8-25-26(5,6)17(2,3)4/h9-10H,7-8,11H2,1-6H3,(H,19,20)
InChIKeyBAOFWJVNCAZHPD-UHFFFAOYSA-N
XLogP2.68
TPSA86.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.52
LogP ≤ 52.68
H-Bond Donors ≤ 51
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-(4-chlorophenyl)-9-oxo-5H-imidazo[1,2-a]purin-3-yl]methoxy]ethyl acetate
CID 10201091
2-[(9-oxo-6-phenyl-5H-imidazo[1,2-a]purin-3-yl)methoxy]ethyl (2R)-2-amino-3-methylbutanoate
CID 25151476
[4-[3-(2-hydroxyethoxymethyl)-9-oxo-5H-imidazo[1,2-a]purin-6-yl]phenyl] acetate
CID 513847
9-[2-[tert-butyl(dimethyl)silyl]oxyethoxymethyl]-6-[(2-nitrophenyl)methoxy]purin-2-amine
CID 164884977
3-(2-hydroxyethoxymethyl)-7-methyl-6-[4-(trifluoromethyl)phenyl]-5H-imidazo[1,2-a]purin-9-one
CID 5276654
2-amino-9-[2-[2-[(2-amino-6-oxo-1H-purin-9-yl)methoxy]ethoxymethoxy]ethoxymethyl]-1H-purin-6-one
CID 138393908
1,9-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-6-ethenylpurin-2-one
CID 11102421
N-[9-[2-[(2-acetamido-6-oxo-1H-purin-9-yl)methoxy]ethoxymethyl]-6-oxo-1H-purin-2-yl]acetamide
CID 169440039
2-amino-9-[2-(2-aminoethoxy)ethoxymethyl]-1H-purin-6-one
CID 135465380
3-[4-hydroxy-3-(hydroxymethyl)butyl]-6-(4-methoxyphenyl)-5H-imidazo[1,2-a]purin-9-one
CID 155525804
N-trimethylsilyl-6-trimethylsilyloxy-9-(2-trimethylsilyloxyethoxymethyl)purin-2-amine
CID 91754053
2-chloro-9-(2-hydroxyethoxymethyl)-1H-purin-6-one
CID 135675129

Frequently Asked Questions

What is the IUPAC name of 3-[2-[tert-butyl(dimethyl)silyl]oxyethoxymethyl]-6-methyl-5H-imidazo[1,2-a]purin-9-one?
The IUPAC name of 3-[2-[tert-butyl(dimethyl)silyl]oxyethoxymethyl]-6-methyl-5H-imidazo[1,2-a]purin-9-one (CID 11047082) is 3-[2-[tert-butyl(dimethyl)silyl]oxyethoxymethyl]-6-methyl-5H-imidazo[1,2-a]purin-9-one.
What is the SMILES notation for 3-[2-[tert-butyl(dimethyl)silyl]oxyethoxymethyl]-6-methyl-5H-imidazo[1,2-a]purin-9-one?
The canonical SMILES for 3-[2-[tert-butyl(dimethyl)silyl]oxyethoxymethyl]-6-methyl-5H-imidazo[1,2-a]purin-9-one is Cc1cn2c(=O)c3ncn(COCCO[Si](C)(C)C(C)(C)C)c3nc2[nH]1.
What is the InChIKey of 3-[2-[tert-butyl(dimethyl)silyl]oxyethoxymethyl]-6-methyl-5H-imidazo[1,2-a]purin-9-one?
The InChIKey is BAOFWJVNCAZHPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O3Si/c1-12-9-22-15(23)13-14(20-16(22)19-12)21(10-18-13)11-24-7-8-25-26(5,6)17(2,3)4/h9-10H,7-8,11H2,1-6H3,(H,19,20).
What are the key properties of 3-[2-[tert-butyl(dimethyl)silyl]oxyethoxymethyl]-6-methyl-5H-imidazo[1,2-a]purin-9-one?
3-[2-[tert-butyl(dimethyl)silyl]oxyethoxymethyl]-6-methyl-5H-imidazo[1,2-a]purin-9-one has a molecular weight of 377.52 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[tert-butyl(dimethyl)silyl]oxyethoxymethyl]-6-methyl-5H-imidazo[1,2-a]purin-9-one is sourced from PubChem (CID 11047082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).