1-[tert-butyl(dimethyl)silyl]-3,7-dimethylpurine-2,6-dione

C13H22N4O2Si — CID 91737419

IUPAC1-[tert-butyl(dimethyl)silyl]-3,7-dimethylpurine-2,6-dione
SMILESCn1cnc2c1c(=O)n([Si](C)(C)C(C)(C)C)c(=O)n2C
InChIInChI=1S/C13H22N4O2Si/c1-13(2,3)20(6,7)17-11(18)9-10(14-8-15(9)4)16(5)12(17)19/h8H,1-7H3
InChIKeyFQHVVNTURBQLJA-UHFFFAOYSA-N
MW294.43 g/mol
LogP1.29
Rot. Bonds1

About 1-[tert-butyl(dimethyl)silyl]-3,7-dimethylpurine-2,6-dione

1-[tert-butyl(dimethyl)silyl]-3,7-dimethylpurine-2,6-dione (PubChem CID 91737419) has the molecular formula C13H22N4O2Si and a molecular weight of 294.43 g/mol. Its IUPAC name is 1-[tert-butyl(dimethyl)silyl]-3,7-dimethylpurine-2,6-dione.

Molecular Properties

Compound Name1-[tert-butyl(dimethyl)silyl]-3,7-dimethylpurine-2,6-dione
PubChem CID91737419
Molecular FormulaC13H22N4O2Si
Molecular Weight294.43 g/mol
Exact Mass294.15
IUPAC Name1-[tert-butyl(dimethyl)silyl]-3,7-dimethylpurine-2,6-dione
SMILESCn1cnc2c1c(=O)n([Si](C)(C)C(C)(C)C)c(=O)n2C
InChIInChI=1S/C13H22N4O2Si/c1-13(2,3)20(6,7)17-11(18)9-10(14-8-15(9)4)16(5)12(17)19/h8H,1-7H3
InChIKeyFQHVVNTURBQLJA-UHFFFAOYSA-N
XLogP1.29
TPSA61.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.43
LogP ≤ 51.29
H-Bond Donors ≤ 50
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 1-[tert-butyl(dimethyl)silyl]-3,7-dimethylpurine-2,6-dione?
The IUPAC name of 1-[tert-butyl(dimethyl)silyl]-3,7-dimethylpurine-2,6-dione (CID 91737419) is 1-[tert-butyl(dimethyl)silyl]-3,7-dimethylpurine-2,6-dione.
What is the SMILES notation for 1-[tert-butyl(dimethyl)silyl]-3,7-dimethylpurine-2,6-dione?
The canonical SMILES for 1-[tert-butyl(dimethyl)silyl]-3,7-dimethylpurine-2,6-dione is Cn1cnc2c1c(=O)n([Si](C)(C)C(C)(C)C)c(=O)n2C.
What is the InChIKey of 1-[tert-butyl(dimethyl)silyl]-3,7-dimethylpurine-2,6-dione?
The InChIKey is FQHVVNTURBQLJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2Si/c1-13(2,3)20(6,7)17-11(18)9-10(14-8-15(9)4)16(5)12(17)19/h8H,1-7H3.
What are the key properties of 1-[tert-butyl(dimethyl)silyl]-3,7-dimethylpurine-2,6-dione?
1-[tert-butyl(dimethyl)silyl]-3,7-dimethylpurine-2,6-dione has a molecular weight of 294.43 g/mol, XLogP of 1.29, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[tert-butyl(dimethyl)silyl]-3,7-dimethylpurine-2,6-dione is sourced from PubChem (CID 91737419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).