2-(2-trimethylsilylethoxymethyl)-7,9-dihydropurin-8-one

C11H18N4O2Si — CID 154294883

IUPAC2-(2-trimethylsilylethoxymethyl)-7,9-dihydropurin-8-one
SMILESC[Si](C)(C)CCOCc1ncc2[nH]c(=O)[nH]c2n1
InChIInChI=1S/C11H18N4O2Si/c1-18(2,3)5-4-17-7-9-12-6-8-10(14-9)15-11(16)13-8/h6H,4-5,7H2,1-3H3,(H2,12,13,14,15,16)
InChIKeyBJUFZGYYWDZROI-UHFFFAOYSA-N
MW266.38 g/mol
LogP1.50
Rot. Bonds5

About 2-(2-trimethylsilylethoxymethyl)-7,9-dihydropurin-8-one

2-(2-trimethylsilylethoxymethyl)-7,9-dihydropurin-8-one (PubChem CID 154294883) has the molecular formula C11H18N4O2Si and a molecular weight of 266.38 g/mol. Its IUPAC name is 2-(2-trimethylsilylethoxymethyl)-7,9-dihydropurin-8-one.

Molecular Properties

Compound Name2-(2-trimethylsilylethoxymethyl)-7,9-dihydropurin-8-one
PubChem CID154294883
Molecular FormulaC11H18N4O2Si
Molecular Weight266.38 g/mol
Exact Mass266.12
IUPAC Name2-(2-trimethylsilylethoxymethyl)-7,9-dihydropurin-8-one
SMILESC[Si](C)(C)CCOCc1ncc2[nH]c(=O)[nH]c2n1
InChIInChI=1S/C11H18N4O2Si/c1-18(2,3)5-4-17-7-9-12-6-8-10(14-9)15-11(16)13-8/h6H,4-5,7H2,1-3H3,(H2,12,13,14,15,16)
InChIKeyBJUFZGYYWDZROI-UHFFFAOYSA-N
XLogP1.50
TPSA83.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(2-trimethylsilylethoxymethyl)-7,9-dihydropurin-8-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(2-trimethylsilylethoxymethyl)-1H-imidazole-2-carbaldehyde
CID 87599786
[5-(2-trimethylsilylethoxymethyl)-1H-imidazol-2-yl]methanol
CID 70088633
methyl 3-[2-chloro-5-[4-methyl-2-(2-trimethylsilylethoxymethyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-4-pyridinyl]propanoate
CID 169284242
trimethyl-[2-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methoxy]ethyl]silane
CID 123459953
3-(2-trimethylsilylethoxymethyl)-5,7-dihydropyrrolo[2,3-e][1,2,4]triazin-6-one
CID 71186443
5-bromo-N-ethyl-2-(propoxymethyl)pyrimidin-4-amine
CID 66301436
trimethyl-[2-[[2-(6-sulfonylcyclohexa-2,4-dien-1-yl)-1H-imidazol-5-yl]methoxy]ethyl]silane
CID 154179835
trimethyl-[2-[(2-methyl-4-nitroimidazol-1-yl)methoxy]ethyl]silane
CID 168974471
[3-(2-trimethylsilylethoxymethyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]methanol
CID 175749387
3-(2-trimethylsilylethoxymethyl)-6-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-1H-imidazo[4,5-b]pyridin-2-one
CID 67078620
trimethyl-[2-[(2-methyl-1H-imidazol-5-yl)oxy]ethyl]silane
CID 67828127
2-(ethoxymethyl)-5-iodo-N-methylpyrimidin-4-amine
CID 66303519

Frequently Asked Questions

What is the IUPAC name of 2-(2-trimethylsilylethoxymethyl)-7,9-dihydropurin-8-one?
The IUPAC name of 2-(2-trimethylsilylethoxymethyl)-7,9-dihydropurin-8-one (CID 154294883) is 2-(2-trimethylsilylethoxymethyl)-7,9-dihydropurin-8-one.
What is the SMILES notation for 2-(2-trimethylsilylethoxymethyl)-7,9-dihydropurin-8-one?
The canonical SMILES for 2-(2-trimethylsilylethoxymethyl)-7,9-dihydropurin-8-one is C[Si](C)(C)CCOCc1ncc2[nH]c(=O)[nH]c2n1.
What is the InChIKey of 2-(2-trimethylsilylethoxymethyl)-7,9-dihydropurin-8-one?
The InChIKey is BJUFZGYYWDZROI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2Si/c1-18(2,3)5-4-17-7-9-12-6-8-10(14-9)15-11(16)13-8/h6H,4-5,7H2,1-3H3,(H2,12,13,14,15,16).
What are the key properties of 2-(2-trimethylsilylethoxymethyl)-7,9-dihydropurin-8-one?
2-(2-trimethylsilylethoxymethyl)-7,9-dihydropurin-8-one has a molecular weight of 266.38 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-trimethylsilylethoxymethyl)-7,9-dihydropurin-8-one is sourced from PubChem (CID 154294883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).