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

C10H16N4O3 — CID 175086770

IUPACmethoxymethane;1,3,7-trimethylpurine-2,6-dione
SMILESCOC.Cn1c(=O)c2c(ncn2C)n(C)c1=O
InChIInChI=1S/C8H10N4O2.C2H6O/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2;1-3-2/h4H,1-3H3;1-2H3
InChIKeyNSGIJCHUZLYRGH-UHFFFAOYSA-N
MW240.26 g/mol
LogP-0.77
Rot. Bonds

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

methoxymethane;1,3,7-trimethylpurine-2,6-dione (PubChem CID 175086770) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is methoxymethane;1,3,7-trimethylpurine-2,6-dione.

Molecular Properties

Compound Namemethoxymethane;1,3,7-trimethylpurine-2,6-dione
PubChem CID175086770
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Namemethoxymethane;1,3,7-trimethylpurine-2,6-dione
SMILESCOC.Cn1c(=O)c2c(ncn2C)n(C)c1=O
InChIInChI=1S/C8H10N4O2.C2H6O/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2;1-3-2/h4H,1-3H3;1-2H3
InChIKeyNSGIJCHUZLYRGH-UHFFFAOYSA-N
XLogP-0.77
TPSA71.05 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 5-0.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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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
methylidenepalladium;1,3,7-trimethylpurine-2,6-dione
CID 175189767
hydroxysilane;1,3,7-trimethylpurine-2,6-dione
CID 159880606
ethane-1,2-diol;1,3,7-trimethylpurine-2,6-dione
CID 122445304
acetic acid;propan-2-one;1,3,7-trimethylpurine-2,6-dione
CID 70407407
7-methyl-1,3-bis(trideuteriomethyl)purine-2,6-dione
CID 13001301
3-amino-1,7-dimethylpurine-2,6-dione
CID 14612981
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
7,9-dihydro-3H-purine-2,6,8-trione;1,3,7-trimethylpurine-2,6-dione
CID 90404483
1,3,7-trimethyl-2-sulfanylidenepurin-6-one
CID 23269076

Frequently Asked Questions

What is the IUPAC name of methoxymethane;1,3,7-trimethylpurine-2,6-dione?
The IUPAC name of methoxymethane;1,3,7-trimethylpurine-2,6-dione (CID 175086770) is methoxymethane;1,3,7-trimethylpurine-2,6-dione.
What is the SMILES notation for methoxymethane;1,3,7-trimethylpurine-2,6-dione?
The canonical SMILES for methoxymethane;1,3,7-trimethylpurine-2,6-dione is COC.Cn1c(=O)c2c(ncn2C)n(C)c1=O.
What is the InChIKey of methoxymethane;1,3,7-trimethylpurine-2,6-dione?
The InChIKey is NSGIJCHUZLYRGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O2.C2H6O/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2;1-3-2/h4H,1-3H3;1-2H3.
What are the key properties of methoxymethane;1,3,7-trimethylpurine-2,6-dione?
methoxymethane;1,3,7-trimethylpurine-2,6-dione has a molecular weight of 240.26 g/mol, XLogP of -0.77, 0 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methoxymethane;1,3,7-trimethylpurine-2,6-dione is sourced from PubChem (CID 175086770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).