3-(2-aminopyrimidin-4-yl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-d]pyrimidin-4-amine

C15H22N8OSi — CID 58395989

IUPAC3-(2-aminopyrimidin-4-yl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESC[Si](C)(C)CCOCn1nc(-c2ccnc(N)n2)c2c(N)ncnc21
InChIInChI=1S/C15H22N8OSi/c1-25(2,3)7-6-24-9-23-14-11(13(16)19-8-20-14)12(22-23)10-4-5-18-15(17)21-10/h4-5,8H,6-7,9H2,1-3H3,(H2,16,19,20)(H2,17,18,21)
InChIKeyOEDYFSQJJSISGS-UHFFFAOYSA-N
MW358.48 g/mol
LogP1.76
Rot. Bonds6

About 3-(2-aminopyrimidin-4-yl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-d]pyrimidin-4-amine

3-(2-aminopyrimidin-4-yl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 58395989) has the molecular formula C15H22N8OSi and a molecular weight of 358.48 g/mol. Its IUPAC name is 3-(2-aminopyrimidin-4-yl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name3-(2-aminopyrimidin-4-yl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID58395989
Molecular FormulaC15H22N8OSi
Molecular Weight358.48 g/mol
Exact Mass358.17
IUPAC Name3-(2-aminopyrimidin-4-yl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESC[Si](C)(C)CCOCn1nc(-c2ccnc(N)n2)c2c(N)ncnc21
InChIInChI=1S/C15H22N8OSi/c1-25(2,3)7-6-24-9-23-14-11(13(16)19-8-20-14)12(22-23)10-4-5-18-15(17)21-10/h4-5,8H,6-7,9H2,1-3H3,(H2,16,19,20)(H2,17,18,21)
InChIKeyOEDYFSQJJSISGS-UHFFFAOYSA-N
XLogP1.76
TPSA130.65 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.48
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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

3-(2-chloropyrimidin-4-yl)-1-(2-trimethylsilylethoxymethyl)indazol-4-amine
CID 90709871
2-[(3,4-dibromopyrazolo[3,4-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane
CID 168933803
7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 70983690
6-methyl-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-3-amine
CID 141449114
4-[5-(4-fluorophenyl)-2-methylsulfanyl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]pyrimidin-2-amine
CID 154633131
3-iodo-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-d]pyrimidin-7-amine
CID 162518295
4-methoxy-3-pyridin-4-yl-1-(2-trimethylsilylethoxymethyl)pyrazol-5-amine
CID 169305279
N,N-dimethyl-5-(2-methylsulfanylpyrimidin-4-yl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 58395794
2-[[3-(3-chlorophenyl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl]methoxy]ethyl-trimethylsilane
CID 175867784
(1R)-1-[1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-c]pyridin-7-yl]ethanamine
CID 178027402
5-(4-amino-1-ethylpyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine
CID 142467589
2-[[3-(2-chloropyrimidin-4-yl)-5-pyridin-3-ylpyrazolo[3,4-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane
CID 86676701

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminopyrimidin-4-yl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 3-(2-aminopyrimidin-4-yl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 58395989) is 3-(2-aminopyrimidin-4-yl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 3-(2-aminopyrimidin-4-yl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 3-(2-aminopyrimidin-4-yl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-d]pyrimidin-4-amine is C[Si](C)(C)CCOCn1nc(-c2ccnc(N)n2)c2c(N)ncnc21.
What is the InChIKey of 3-(2-aminopyrimidin-4-yl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is OEDYFSQJJSISGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N8OSi/c1-25(2,3)7-6-24-9-23-14-11(13(16)19-8-20-14)12(22-23)10-4-5-18-15(17)21-10/h4-5,8H,6-7,9H2,1-3H3,(H2,16,19,20)(H2,17,18,21).
What are the key properties of 3-(2-aminopyrimidin-4-yl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
3-(2-aminopyrimidin-4-yl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 358.48 g/mol, XLogP of 1.76, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminopyrimidin-4-yl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 58395989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).