hydroxysilane;1,3,7-trimethylpurine-2,6-dione

C8H14N4O3Si — CID 159880606

IUPAChydroxysilane;1,3,7-trimethylpurine-2,6-dione
SMILESCn1c(=O)c2c(ncn2C)n(C)c1=O.O[SiH3]
InChIInChI=1S/C8H10N4O2.H4OSi/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2;1-2/h4H,1-3H3;1H,2H3
InChIKeyNTMADBCZHNCQCJ-UHFFFAOYSA-N
MW242.31 g/mol
LogP-2.77
Rot. Bonds

About hydroxysilane;1,3,7-trimethylpurine-2,6-dione

hydroxysilane;1,3,7-trimethylpurine-2,6-dione (PubChem CID 159880606) has the molecular formula C8H14N4O3Si and a molecular weight of 242.31 g/mol. Its IUPAC name is hydroxysilane;1,3,7-trimethylpurine-2,6-dione.

Molecular Properties

Compound Namehydroxysilane;1,3,7-trimethylpurine-2,6-dione
PubChem CID159880606
Molecular FormulaC8H14N4O3Si
Molecular Weight242.31 g/mol
Exact Mass242.08
IUPAC Namehydroxysilane;1,3,7-trimethylpurine-2,6-dione
SMILESCn1c(=O)c2c(ncn2C)n(C)c1=O.O[SiH3]
InChIInChI=1S/C8H10N4O2.H4OSi/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2;1-2/h4H,1-3H3;1H,2H3
InChIKeyNTMADBCZHNCQCJ-UHFFFAOYSA-N
XLogP-2.77
TPSA82.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.31
LogP ≤ 5-2.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1,3,7-trimethylpurine-2,6-dione
CID 131953138
iron;1,3,7-trimethylpurine-2,6-dione
CID 158445461
ethane-1,2-diol;1,3,7-trimethylpurine-2,6-dione
CID 122445304
methoxymethane;1,3,7-trimethylpurine-2,6-dione
CID 175086770
methylidenepalladium;1,3,7-trimethylpurine-2,6-dione
CID 175189767
acetic acid;propan-2-one;1,3,7-trimethylpurine-2,6-dione
CID 70407407
butane-1,3-diol;1,3,7-trimethylpurine-2,6-dione
CID 174188609
2,2,3,3,4,4,5,5-octafluorohexanedioic acid;bis(1,3,7-trimethylpurine-2,6-dione)
CID 139144451
3-amino-1,7-dimethylpurine-2,6-dione
CID 14612981
7-methyl-1,3-bis(trideuteriomethyl)purine-2,6-dione
CID 13001301
sodium;1,3,7-trimethylpurine-2,6-dione;benzoate
CID 23669229
2-hydroxybutanedioic acid;1,3,7-trimethylpurine-2,6-dione
CID 66888672

Frequently Asked Questions

What is the IUPAC name of hydroxysilane;1,3,7-trimethylpurine-2,6-dione?
The IUPAC name of hydroxysilane;1,3,7-trimethylpurine-2,6-dione (CID 159880606) is hydroxysilane;1,3,7-trimethylpurine-2,6-dione.
What is the SMILES notation for hydroxysilane;1,3,7-trimethylpurine-2,6-dione?
The canonical SMILES for hydroxysilane;1,3,7-trimethylpurine-2,6-dione is Cn1c(=O)c2c(ncn2C)n(C)c1=O.O[SiH3].
What is the InChIKey of hydroxysilane;1,3,7-trimethylpurine-2,6-dione?
The InChIKey is NTMADBCZHNCQCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O2.H4OSi/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2;1-2/h4H,1-3H3;1H,2H3.
What are the key properties of hydroxysilane;1,3,7-trimethylpurine-2,6-dione?
hydroxysilane;1,3,7-trimethylpurine-2,6-dione has a molecular weight of 242.31 g/mol, XLogP of -2.77, 0 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxysilane;1,3,7-trimethylpurine-2,6-dione is sourced from PubChem (CID 159880606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).