3-iodo-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-d]pyrimidin-7-amine

C11H18IN5OSi — CID 162518295

IUPAC3-iodo-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-d]pyrimidin-7-amine
SMILESC[Si](C)(C)CCOCn1nc(I)c2ncnc(N)c21
InChIInChI=1S/C11H18IN5OSi/c1-19(2,3)5-4-18-7-17-9-8(10(12)16-17)14-6-15-11(9)13/h6H,4-5,7H2,1-3H3,(H2,13,14,15)
InChIKeyHHGYASORQOUPLK-UHFFFAOYSA-N
MW391.29 g/mol
LogP2.33
Rot. Bonds5

About 3-iodo-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-d]pyrimidin-7-amine

3-iodo-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-d]pyrimidin-7-amine (PubChem CID 162518295) has the molecular formula C11H18IN5OSi and a molecular weight of 391.29 g/mol. Its IUPAC name is 3-iodo-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound Name3-iodo-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-d]pyrimidin-7-amine
PubChem CID162518295
Molecular FormulaC11H18IN5OSi
Molecular Weight391.29 g/mol
Exact Mass391.03
IUPAC Name3-iodo-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-d]pyrimidin-7-amine
SMILESC[Si](C)(C)CCOCn1nc(I)c2ncnc(N)c21
InChIInChI=1S/C11H18IN5OSi/c1-19(2,3)5-4-18-7-17-9-8(10(12)16-17)14-6-15-11(9)13/h6H,4-5,7H2,1-3H3,(H2,13,14,15)
InChIKeyHHGYASORQOUPLK-UHFFFAOYSA-N
XLogP2.33
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.29
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-iodo-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-d]pyrimidin-7-amine 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

[4-amino-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]boronic acid
CID 162489265
[4-amino-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]oxyboronic acid
CID 156758564
2-[(7-bromo-3-iodopyrazolo[4,3-c]pyridin-1-yl)methoxy]ethyl-trimethylsilane
CID 169114152
3-(2-aminopyrimidin-4-yl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 58395989
7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 70983690
1-(2-trimethylsilylethoxymethyl)benzimidazol-4-amine
CID 156708080
2-[(6-chloro-3-iodopyrazolo[5,4-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane
CID 163251887
1-(2-trimethylsilylethoxymethyl)imidazol-4-amine
CID 58367438
2-[[5-bromo-3-iodo-7-(prop-2-enoxymethyl)indazol-1-yl]methoxy]ethyl-trimethylsilane
CID 153306690
6-methyl-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-3-amine
CID 141449114
2-[(6-chloro-3-iodo-4-methoxypyrazolo[5,4-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane
CID 151001898
7-bromo-5-chloro-2-(2-trimethylsilylethoxymethyl)pyrazolo[4,3-b]pyridin-3-amine
CID 169206863

Frequently Asked Questions

What is the IUPAC name of 3-iodo-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of 3-iodo-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-d]pyrimidin-7-amine (CID 162518295) is 3-iodo-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for 3-iodo-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for 3-iodo-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-d]pyrimidin-7-amine is C[Si](C)(C)CCOCn1nc(I)c2ncnc(N)c21.
What is the InChIKey of 3-iodo-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is HHGYASORQOUPLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18IN5OSi/c1-19(2,3)5-4-18-7-17-9-8(10(12)16-17)14-6-15-11(9)13/h6H,4-5,7H2,1-3H3,(H2,13,14,15).
What are the key properties of 3-iodo-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-d]pyrimidin-7-amine?
3-iodo-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 391.29 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 162518295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).