1,2,8-trimethyl-7H-purin-6-one

C8H10N4O — CID 20676688

IUPAC1,2,8-trimethyl-7H-purin-6-one
SMILESCc1nc2nc(C)n(C)c(=O)c2[nH]1
InChIInChI=1S/C8H10N4O/c1-4-9-6-7(10-4)11-5(2)12(3)8(6)13/h1-3H3,(H,9,10)
InChIKeyGBGNDAKCCRYLQE-UHFFFAOYSA-N
MW178.19 g/mol
LogP0.27
Rot. Bonds

About 1,2,8-trimethyl-7H-purin-6-one

1,2,8-trimethyl-7H-purin-6-one (PubChem CID 20676688) has the molecular formula C8H10N4O and a molecular weight of 178.19 g/mol. Its IUPAC name is 1,2,8-trimethyl-7H-purin-6-one.

Molecular Properties

Compound Name1,2,8-trimethyl-7H-purin-6-one
PubChem CID20676688
Molecular FormulaC8H10N4O
Molecular Weight178.19 g/mol
Exact Mass178.09
IUPAC Name1,2,8-trimethyl-7H-purin-6-one
SMILESCc1nc2nc(C)n(C)c(=O)c2[nH]1
InChIInChI=1S/C8H10N4O/c1-4-9-6-7(10-4)11-5(2)12(3)8(6)13/h1-3H3,(H,9,10)
InChIKeyGBGNDAKCCRYLQE-UHFFFAOYSA-N
XLogP0.27
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1,2,8-trimethyl-7H-purin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(dimethylamino)-1,8-dimethyl-7H-purin-6-one
CID 54007266
N,1,2,8-tetramethyl-7H-purin-6-imine
CID 136659879
8-methyl-1-pyridin-4-yl-7H-purin-6-one
CID 142544814
5,6-dimethyl-2,3-dihydro-1H-triazolo[4,5-d]pyrimidin-7-one
CID 143386784
8-amino-1-tert-butyl-2-methyl-7H-purin-6-one
CID 155151481
2,3,5,7-tetramethylpyrido[2,3-d]pyrimidin-4-one
CID 12910050
4-methyl-3,5,7,10,12-pentazatricyclo[7.3.0.02,6]dodeca-1,4,6,8-tetraen-11-one
CID 141208367
5,6-dimethyl-2H-imidazo[4,5-e][1,2,4]triazin-3-one
CID 71336771
2-methyl-1,7-dihydropurin-6-one
CID 135449674
1,8-dimethyl-3-(4,4,4-trifluorobutyl)-7H-purine-2,6-dione
CID 143088382
3-hydroxy-8-methyl-7H-purine-2,6-dione
CID 21122774
5-chloro-2,3-dimethylpyrido[2,3-d]pyrimidin-4-one
CID 83820734

Frequently Asked Questions

What is the IUPAC name of 1,2,8-trimethyl-7H-purin-6-one?
The IUPAC name of 1,2,8-trimethyl-7H-purin-6-one (CID 20676688) is 1,2,8-trimethyl-7H-purin-6-one.
What is the SMILES notation for 1,2,8-trimethyl-7H-purin-6-one?
The canonical SMILES for 1,2,8-trimethyl-7H-purin-6-one is Cc1nc2nc(C)n(C)c(=O)c2[nH]1.
What is the InChIKey of 1,2,8-trimethyl-7H-purin-6-one?
The InChIKey is GBGNDAKCCRYLQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O/c1-4-9-6-7(10-4)11-5(2)12(3)8(6)13/h1-3H3,(H,9,10).
What are the key properties of 1,2,8-trimethyl-7H-purin-6-one?
1,2,8-trimethyl-7H-purin-6-one has a molecular weight of 178.19 g/mol, XLogP of 0.27, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,8-trimethyl-7H-purin-6-one is sourced from PubChem (CID 20676688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).