[4-amino-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]boronic acid

C12H21BN4O3Si — CID 162489265

IUPAC[4-amino-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]boronic acid
SMILESC[Si](C)(C)CCOCn1cc(B(O)O)c2ncnc(N)c21
InChIInChI=1S/C12H21BN4O3Si/c1-21(2,3)5-4-20-8-17-6-9(13(18)19)10-11(17)12(14)16-7-15-10/h6-7,18-19H,4-5,8H2,1-3H3,(H2,14,15,16)
InChIKeyGESGCRCOWHRFHW-UHFFFAOYSA-N
MW308.22 g/mol
LogP0.01
Rot. Bonds6

About [4-amino-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]boronic acid

[4-amino-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]boronic acid (PubChem CID 162489265) has the molecular formula C12H21BN4O3Si and a molecular weight of 308.22 g/mol. Its IUPAC name is [4-amino-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]boronic acid.

Molecular Properties

Compound Name[4-amino-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]boronic acid
PubChem CID162489265
Molecular FormulaC12H21BN4O3Si
Molecular Weight308.22 g/mol
Exact Mass308.15
IUPAC Name[4-amino-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]boronic acid
SMILESC[Si](C)(C)CCOCn1cc(B(O)O)c2ncnc(N)c21
InChIInChI=1S/C12H21BN4O3Si/c1-21(2,3)5-4-20-8-17-6-9(13(18)19)10-11(17)12(14)16-7-15-10/h6-7,18-19H,4-5,8H2,1-3H3,(H2,14,15,16)
InChIKeyGESGCRCOWHRFHW-UHFFFAOYSA-N
XLogP0.01
TPSA106.42 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.22
LogP ≤ 50.01
H-Bond Donors ≤ 53
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

[4-amino-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]oxyboronic acid
CID 156758564
3-iodo-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-d]pyrimidin-7-amine
CID 162518295
7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 70983690
1-(2-trimethylsilylethoxymethyl)imidazole-2,4-dicarboxylic acid
CID 159721123
tert-butyl 4-[4-amino-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]piperidine-1-carboxylate
CID 170747040
1-(2-trimethylsilylethoxymethyl)benzimidazol-4-amine
CID 156708080
4-methyl-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxylic acid
CID 142729257
1-(2-trimethylsilylethoxymethyl)imidazol-4-amine
CID 58367438
2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde;2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid
CID 161107897
ethyl 5-methyl-1-(2-trimethylsilylethoxymethyl)imidazole-4-carboxylate
CID 59677265
5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde
CID 58522443
1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxamide
CID 68592326

Frequently Asked Questions

What is the IUPAC name of [4-amino-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]boronic acid?
The IUPAC name of [4-amino-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]boronic acid (CID 162489265) is [4-amino-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]boronic acid.
What is the SMILES notation for [4-amino-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]boronic acid?
The canonical SMILES for [4-amino-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]boronic acid is C[Si](C)(C)CCOCn1cc(B(O)O)c2ncnc(N)c21.
What is the InChIKey of [4-amino-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]boronic acid?
The InChIKey is GESGCRCOWHRFHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21BN4O3Si/c1-21(2,3)5-4-20-8-17-6-9(13(18)19)10-11(17)12(14)16-7-15-10/h6-7,18-19H,4-5,8H2,1-3H3,(H2,14,15,16).
What are the key properties of [4-amino-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]boronic acid?
[4-amino-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]boronic acid has a molecular weight of 308.22 g/mol, XLogP of 0.01, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]boronic acid is sourced from PubChem (CID 162489265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).