8-bromo-N-trimethylsilyl-7H-purin-6-amine

C8H12BrN5Si — CID 91749112

IUPAC8-bromo-N-trimethylsilyl-7H-purin-6-amine
SMILESC[Si](C)(C)Nc1ncnc2nc(Br)[nH]c12
InChIInChI=1S/C8H12BrN5Si/c1-15(2,3)14-7-5-6(10-4-11-7)13-8(9)12-5/h4H,1-3H3,(H2,10,11,12,13,14)
InChIKeyRJUHXTFCGGMIIW-UHFFFAOYSA-N
MW286.21 g/mol
LogP2.36
Rot. Bonds2

About 8-bromo-N-trimethylsilyl-7H-purin-6-amine

8-bromo-N-trimethylsilyl-7H-purin-6-amine (PubChem CID 91749112) has the molecular formula C8H12BrN5Si and a molecular weight of 286.21 g/mol. Its IUPAC name is 8-bromo-N-trimethylsilyl-7H-purin-6-amine.

Molecular Properties

Compound Name8-bromo-N-trimethylsilyl-7H-purin-6-amine
PubChem CID91749112
Molecular FormulaC8H12BrN5Si
Molecular Weight286.21 g/mol
Exact Mass285.00
IUPAC Name8-bromo-N-trimethylsilyl-7H-purin-6-amine
SMILESC[Si](C)(C)Nc1ncnc2nc(Br)[nH]c12
InChIInChI=1S/C8H12BrN5Si/c1-15(2,3)14-7-5-6(10-4-11-7)13-8(9)12-5/h4H,1-3H3,(H2,10,11,12,13,14)
InChIKeyRJUHXTFCGGMIIW-UHFFFAOYSA-N
XLogP2.36
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.21
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 8-bromo-N-trimethylsilyl-7H-purin-6-amine?
The IUPAC name of 8-bromo-N-trimethylsilyl-7H-purin-6-amine (CID 91749112) is 8-bromo-N-trimethylsilyl-7H-purin-6-amine.
What is the SMILES notation for 8-bromo-N-trimethylsilyl-7H-purin-6-amine?
The canonical SMILES for 8-bromo-N-trimethylsilyl-7H-purin-6-amine is C[Si](C)(C)Nc1ncnc2nc(Br)[nH]c12.
What is the InChIKey of 8-bromo-N-trimethylsilyl-7H-purin-6-amine?
The InChIKey is RJUHXTFCGGMIIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrN5Si/c1-15(2,3)14-7-5-6(10-4-11-7)13-8(9)12-5/h4H,1-3H3,(H2,10,11,12,13,14).
What are the key properties of 8-bromo-N-trimethylsilyl-7H-purin-6-amine?
8-bromo-N-trimethylsilyl-7H-purin-6-amine has a molecular weight of 286.21 g/mol, XLogP of 2.36, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-N-trimethylsilyl-7H-purin-6-amine is sourced from PubChem (CID 91749112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).