8,8-dimethyl-3H-purine-2,6-dione

C7H8N4O2 — CID 150276234

IUPAC8,8-dimethyl-3H-purine-2,6-dione
SMILESCC1(C)N=c2[nH]c(=O)[nH]c(=O)c2=N1
InChIInChI=1S/C7H8N4O2/c1-7(2)10-3-4(11-7)8-6(13)9-5(3)12/h1-2H3,(H2,8,9,11,12,13)
InChIKeyGEPVMDINFCTKRV-UHFFFAOYSA-N
MW180.17 g/mol
LogP-1.95
Rot. Bonds

About 8,8-dimethyl-3H-purine-2,6-dione

8,8-dimethyl-3H-purine-2,6-dione (PubChem CID 150276234) has the molecular formula C7H8N4O2 and a molecular weight of 180.17 g/mol. Its IUPAC name is 8,8-dimethyl-3H-purine-2,6-dione.

Molecular Properties

Compound Name8,8-dimethyl-3H-purine-2,6-dione
PubChem CID150276234
Molecular FormulaC7H8N4O2
Molecular Weight180.17 g/mol
Exact Mass180.06
IUPAC Name8,8-dimethyl-3H-purine-2,6-dione
SMILESCC1(C)N=c2[nH]c(=O)[nH]c(=O)c2=N1
InChIInChI=1S/C7H8N4O2/c1-7(2)10-3-4(11-7)8-6(13)9-5(3)12/h1-2H3,(H2,8,9,11,12,13)
InChIKeyGEPVMDINFCTKRV-UHFFFAOYSA-N
XLogP-1.95
TPSA90.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.17
LogP ≤ 5-1.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

8-Methylpurine-2,6-dione
CID 11147906
Xanthine, 1,3,8,8-tetramethyl-
CID 120343
8-Oxoxanthine
CID 446859
Xanthinethione
CID 18350395
3,8-Dihydro-1H-purine-2,6-dione
CID 68891898
8-Aminopurine-2,6-dione
CID 136490869
8-Methoxy-purine-2,6-dione
CID 77628893
Dimethylpropylxanthine
CID 129735825
1H-Purine-2,6,8(3H)-trione,7,9-dihydro-3-methyl-
CID 10035199
4-methyl-3H-purine-2,6-dione
CID 20036352
potassium;carbanide;4-methyl-3H-purine-2,6-dione
CID 88774272
1-methyl-3H-purine-2,6,8-trione
CID 136250268

Frequently Asked Questions

What is the IUPAC name of 8,8-dimethyl-3H-purine-2,6-dione?
The IUPAC name of 8,8-dimethyl-3H-purine-2,6-dione (CID 150276234) is 8,8-dimethyl-3H-purine-2,6-dione.
What is the SMILES notation for 8,8-dimethyl-3H-purine-2,6-dione?
The canonical SMILES for 8,8-dimethyl-3H-purine-2,6-dione is CC1(C)N=c2[nH]c(=O)[nH]c(=O)c2=N1.
What is the InChIKey of 8,8-dimethyl-3H-purine-2,6-dione?
The InChIKey is GEPVMDINFCTKRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4O2/c1-7(2)10-3-4(11-7)8-6(13)9-5(3)12/h1-2H3,(H2,8,9,11,12,13).
What are the key properties of 8,8-dimethyl-3H-purine-2,6-dione?
8,8-dimethyl-3H-purine-2,6-dione has a molecular weight of 180.17 g/mol, XLogP of -1.95, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-dimethyl-3H-purine-2,6-dione is sourced from PubChem (CID 150276234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).