5-(3-trimethylsilyloxybutyl)pyrazolo[1,5-a]pyrimidin-7-amine

C13H22N4OSi — CID 22372113

IUPAC5-(3-trimethylsilyloxybutyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCC(CCc1cc(N)n2nccc2n1)O[Si](C)(C)C
InChIInChI=1S/C13H22N4OSi/c1-10(18-19(2,3)4)5-6-11-9-12(14)17-13(16-11)7-8-15-17/h7-10H,5-6,14H2,1-4H3
InChIKeySANYIEBDVMGOQW-UHFFFAOYSA-N
MW278.43 g/mol
LogP2.48
Rot. Bonds5

About 5-(3-trimethylsilyloxybutyl)pyrazolo[1,5-a]pyrimidin-7-amine

5-(3-trimethylsilyloxybutyl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 22372113) has the molecular formula C13H22N4OSi and a molecular weight of 278.43 g/mol. Its IUPAC name is 5-(3-trimethylsilyloxybutyl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-(3-trimethylsilyloxybutyl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID22372113
Molecular FormulaC13H22N4OSi
Molecular Weight278.43 g/mol
Exact Mass278.16
IUPAC Name5-(3-trimethylsilyloxybutyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCC(CCc1cc(N)n2nccc2n1)O[Si](C)(C)C
InChIInChI=1S/C13H22N4OSi/c1-10(18-19(2,3)4)5-6-11-9-12(14)17-13(16-11)7-8-15-17/h7-10H,5-6,14H2,1-4H3
InChIKeySANYIEBDVMGOQW-UHFFFAOYSA-N
XLogP2.48
TPSA65.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.43
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(3-trimethylsilyloxybutyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-(3-trimethylsilyloxybutyl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 22372113) is 5-(3-trimethylsilyloxybutyl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-(3-trimethylsilyloxybutyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-(3-trimethylsilyloxybutyl)pyrazolo[1,5-a]pyrimidin-7-amine is CC(CCc1cc(N)n2nccc2n1)O[Si](C)(C)C.
What is the InChIKey of 5-(3-trimethylsilyloxybutyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is SANYIEBDVMGOQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4OSi/c1-10(18-19(2,3)4)5-6-11-9-12(14)17-13(16-11)7-8-15-17/h7-10H,5-6,14H2,1-4H3.
What are the key properties of 5-(3-trimethylsilyloxybutyl)pyrazolo[1,5-a]pyrimidin-7-amine?
5-(3-trimethylsilyloxybutyl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 278.43 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-trimethylsilyloxybutyl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 22372113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).