9-methyl-N-trimethylsilyl-6-trimethylsilyloxypurin-2-amine

C12H23N5OSi2 — CID 530133

IUPAC9-methyl-N-trimethylsilyl-6-trimethylsilyloxypurin-2-amine
SMILESCn1cnc2c(O[Si](C)(C)C)nc(N[Si](C)(C)C)nc21
InChIInChI=1S/C12H23N5OSi2/c1-17-8-13-9-10(17)14-12(16-19(2,3)4)15-11(9)18-20(5,6)7/h8H,1-7H3,(H,14,15,16)
InChIKeyWZBOXMAKWFFRLQ-UHFFFAOYSA-N
MW309.52 g/mol
LogP2.82
Rot. Bonds4

About 9-methyl-N-trimethylsilyl-6-trimethylsilyloxypurin-2-amine

9-methyl-N-trimethylsilyl-6-trimethylsilyloxypurin-2-amine (PubChem CID 530133) has the molecular formula C12H23N5OSi2 and a molecular weight of 309.52 g/mol. Its IUPAC name is 9-methyl-N-trimethylsilyl-6-trimethylsilyloxypurin-2-amine.

Molecular Properties

Compound Name9-methyl-N-trimethylsilyl-6-trimethylsilyloxypurin-2-amine
PubChem CID530133
Molecular FormulaC12H23N5OSi2
Molecular Weight309.52 g/mol
Exact Mass309.14
IUPAC Name9-methyl-N-trimethylsilyl-6-trimethylsilyloxypurin-2-amine
SMILESCn1cnc2c(O[Si](C)(C)C)nc(N[Si](C)(C)C)nc21
InChIInChI=1S/C12H23N5OSi2/c1-17-8-13-9-10(17)14-12(16-19(2,3)4)15-11(9)18-20(5,6)7/h8H,1-7H3,(H,14,15,16)
InChIKeyWZBOXMAKWFFRLQ-UHFFFAOYSA-N
XLogP2.82
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.52
LogP ≤ 52.82
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 9-methyl-N-trimethylsilyl-6-trimethylsilyloxypurin-2-amine?
The IUPAC name of 9-methyl-N-trimethylsilyl-6-trimethylsilyloxypurin-2-amine (CID 530133) is 9-methyl-N-trimethylsilyl-6-trimethylsilyloxypurin-2-amine.
What is the SMILES notation for 9-methyl-N-trimethylsilyl-6-trimethylsilyloxypurin-2-amine?
The canonical SMILES for 9-methyl-N-trimethylsilyl-6-trimethylsilyloxypurin-2-amine is Cn1cnc2c(O[Si](C)(C)C)nc(N[Si](C)(C)C)nc21.
What is the InChIKey of 9-methyl-N-trimethylsilyl-6-trimethylsilyloxypurin-2-amine?
The InChIKey is WZBOXMAKWFFRLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5OSi2/c1-17-8-13-9-10(17)14-12(16-19(2,3)4)15-11(9)18-20(5,6)7/h8H,1-7H3,(H,14,15,16).
What are the key properties of 9-methyl-N-trimethylsilyl-6-trimethylsilyloxypurin-2-amine?
9-methyl-N-trimethylsilyl-6-trimethylsilyloxypurin-2-amine has a molecular weight of 309.52 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-N-trimethylsilyl-6-trimethylsilyloxypurin-2-amine is sourced from PubChem (CID 530133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).