N,9-bis(trimethylsilyl)-6-trimethylsilyloxypurin-2-amine

C14H29N5OSi3 — CID 530172

IUPACN,9-bis(trimethylsilyl)-6-trimethylsilyloxypurin-2-amine
SMILESC[Si](C)(C)Nc1nc(O[Si](C)(C)C)c2ncn([Si](C)(C)C)c2n1
InChIInChI=1S/C14H29N5OSi3/c1-21(2,3)18-14-16-12-11(13(17-14)20-23(7,8)9)15-10-19(12)22(4,5)6/h10H,1-9H3,(H,16,17,18)
InChIKeyZTKRDVGMYXNNJL-UHFFFAOYSA-N
MW367.68 g/mol
LogP3.97
Rot. Bonds5

About N,9-bis(trimethylsilyl)-6-trimethylsilyloxypurin-2-amine

N,9-bis(trimethylsilyl)-6-trimethylsilyloxypurin-2-amine (PubChem CID 530172) has the molecular formula C14H29N5OSi3 and a molecular weight of 367.68 g/mol. Its IUPAC name is N,9-bis(trimethylsilyl)-6-trimethylsilyloxypurin-2-amine.

Molecular Properties

Compound NameN,9-bis(trimethylsilyl)-6-trimethylsilyloxypurin-2-amine
PubChem CID530172
Molecular FormulaC14H29N5OSi3
Molecular Weight367.68 g/mol
Exact Mass367.17
IUPAC NameN,9-bis(trimethylsilyl)-6-trimethylsilyloxypurin-2-amine
SMILESC[Si](C)(C)Nc1nc(O[Si](C)(C)C)c2ncn([Si](C)(C)C)c2n1
InChIInChI=1S/C14H29N5OSi3/c1-21(2,3)18-14-16-12-11(13(17-14)20-23(7,8)9)15-10-19(12)22(4,5)6/h10H,1-9H3,(H,16,17,18)
InChIKeyZTKRDVGMYXNNJL-UHFFFAOYSA-N
XLogP3.97
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.68
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 N,9-bis(trimethylsilyl)-6-trimethylsilyloxypurin-2-amine?
The IUPAC name of N,9-bis(trimethylsilyl)-6-trimethylsilyloxypurin-2-amine (CID 530172) is N,9-bis(trimethylsilyl)-6-trimethylsilyloxypurin-2-amine.
What is the SMILES notation for N,9-bis(trimethylsilyl)-6-trimethylsilyloxypurin-2-amine?
The canonical SMILES for N,9-bis(trimethylsilyl)-6-trimethylsilyloxypurin-2-amine is C[Si](C)(C)Nc1nc(O[Si](C)(C)C)c2ncn([Si](C)(C)C)c2n1.
What is the InChIKey of N,9-bis(trimethylsilyl)-6-trimethylsilyloxypurin-2-amine?
The InChIKey is ZTKRDVGMYXNNJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N5OSi3/c1-21(2,3)18-14-16-12-11(13(17-14)20-23(7,8)9)15-10-19(12)22(4,5)6/h10H,1-9H3,(H,16,17,18).
What are the key properties of N,9-bis(trimethylsilyl)-6-trimethylsilyloxypurin-2-amine?
N,9-bis(trimethylsilyl)-6-trimethylsilyloxypurin-2-amine has a molecular weight of 367.68 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,9-bis(trimethylsilyl)-6-trimethylsilyloxypurin-2-amine is sourced from PubChem (CID 530172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).