1,3-dimethyl-7H-purine-2,6-dione;hydroxysilane;methyl acetate

C10H18N4O5Si — CID 173336645

IUPAC1,3-dimethyl-7H-purine-2,6-dione;hydroxysilane;methyl acetate
SMILESCOC(C)=O.Cn1c(=O)c2[nH]cnc2n(C)c1=O.O[SiH3]
InChIInChI=1S/C7H8N4O2.C3H6O2.H4OSi/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13;1-3(4)5-2;1-2/h3H,1-2H3,(H,8,9);1-2H3;1H,2H3
InChIKeyHCVSGLNQOYKUAB-UHFFFAOYSA-N
MW302.36 g/mol
LogP-2.60
Rot. Bonds

About 1,3-dimethyl-7H-purine-2,6-dione;hydroxysilane;methyl acetate

1,3-dimethyl-7H-purine-2,6-dione;hydroxysilane;methyl acetate (PubChem CID 173336645) has the molecular formula C10H18N4O5Si and a molecular weight of 302.36 g/mol. Its IUPAC name is 1,3-dimethyl-7H-purine-2,6-dione;hydroxysilane;methyl acetate.

Molecular Properties

Compound Name1,3-dimethyl-7H-purine-2,6-dione;hydroxysilane;methyl acetate
PubChem CID173336645
Molecular FormulaC10H18N4O5Si
Molecular Weight302.36 g/mol
Exact Mass302.10
IUPAC Name1,3-dimethyl-7H-purine-2,6-dione;hydroxysilane;methyl acetate
SMILESCOC(C)=O.Cn1c(=O)c2[nH]cnc2n(C)c1=O.O[SiH3]
InChIInChI=1S/C7H8N4O2.C3H6O2.H4OSi/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13;1-3(4)5-2;1-2/h3H,1-2H3,(H,8,9);1-2H3;1H,2H3
InChIKeyHCVSGLNQOYKUAB-UHFFFAOYSA-N
XLogP-2.60
TPSA119.21 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 5-2.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

acetic acid;1,3-dimethyl-7H-purine-2,6-dione;methanamine
CID 174694484
1,3-dimethyl-7H-purine-2,6-dione;molecular iodine
CID 160576225
bis(1,3-dimethyl-7H-purine-2,6-dione);tetrakis(1-oxonioethylideneoxidanium);bis(rhodium(2+))
CID 5150358
bis(1,3-dimethyl-7H-purine-2,6-dione);ethane-1,2-diamine;tetrahydrate
CID 157010711
(2R)-2-acetamido-3-sulfanylpropanoic acid;1,3-dimethyl-7H-purine-2,6-dione
CID 54576064
sodium;1,3-dimethyl-7H-purine-2,6-dione;2-hydroxybenzoate
CID 69117889
1-methyl-3-(2-methylpropanoyl)-7H-purine-2,6-dione
CID 21195478
3,7-dimethyl-1-(5-oxohexyl)purine-2,6-dione;1,3-dimethyl-7H-purine-2,6-dione;1,3,7-trimethylpurine-2,6-dione
CID 69293354
1,3-dimethyl-7H-purine-2,6-dione;2-(1H-imidazol-5-yl)ethanamine;osmium;hydrate
CID 173170169
3-(3-methyl-2,6-dioxo-7H-purin-1-yl)pentanedioic acid
CID 140574043
1,3-dimethyl-7H-purine-2,6-dione;[3-(2,5-dioxopyrrolidin-1-yl)-2-methoxypropyl]mercury(1+);hydroxide
CID 139033150
1,3-dimethyl-6-sulfinyl-7H-purin-2-one
CID 607238

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-7H-purine-2,6-dione;hydroxysilane;methyl acetate?
The IUPAC name of 1,3-dimethyl-7H-purine-2,6-dione;hydroxysilane;methyl acetate (CID 173336645) is 1,3-dimethyl-7H-purine-2,6-dione;hydroxysilane;methyl acetate.
What is the SMILES notation for 1,3-dimethyl-7H-purine-2,6-dione;hydroxysilane;methyl acetate?
The canonical SMILES for 1,3-dimethyl-7H-purine-2,6-dione;hydroxysilane;methyl acetate is COC(C)=O.Cn1c(=O)c2[nH]cnc2n(C)c1=O.O[SiH3].
What is the InChIKey of 1,3-dimethyl-7H-purine-2,6-dione;hydroxysilane;methyl acetate?
The InChIKey is HCVSGLNQOYKUAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4O2.C3H6O2.H4OSi/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13;1-3(4)5-2;1-2/h3H,1-2H3,(H,8,9);1-2H3;1H,2H3.
What are the key properties of 1,3-dimethyl-7H-purine-2,6-dione;hydroxysilane;methyl acetate?
1,3-dimethyl-7H-purine-2,6-dione;hydroxysilane;methyl acetate has a molecular weight of 302.36 g/mol, XLogP of -2.60, 0 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-7H-purine-2,6-dione;hydroxysilane;methyl acetate is sourced from PubChem (CID 173336645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).