4-amino-1,3-dimethylpurine-2,6-dione

C7H9N5O2 — CID 162518008

IUPAC4-amino-1,3-dimethylpurine-2,6-dione
SMILESCN1C(=O)C2=NC=NC2(N)N(C)C1=O
InChIInChI=1S/C7H9N5O2/c1-11-5(13)4-7(8,10-3-9-4)12(2)6(11)14/h3H,8H2,1-2H3
InChIKeyKFBRJTGCCLXYNG-UHFFFAOYSA-N
MW195.18 g/mol
LogP-1.39
Rot. Bonds

About 4-amino-1,3-dimethylpurine-2,6-dione

4-amino-1,3-dimethylpurine-2,6-dione (PubChem CID 162518008) has the molecular formula C7H9N5O2 and a molecular weight of 195.18 g/mol. Its IUPAC name is 4-amino-1,3-dimethylpurine-2,6-dione.

Molecular Properties

Compound Name4-amino-1,3-dimethylpurine-2,6-dione
PubChem CID162518008
Molecular FormulaC7H9N5O2
Molecular Weight195.18 g/mol
Exact Mass195.08
IUPAC Name4-amino-1,3-dimethylpurine-2,6-dione
SMILESCN1C(=O)C2=NC=NC2(N)N(C)C1=O
InChIInChI=1S/C7H9N5O2/c1-11-5(13)4-7(8,10-3-9-4)12(2)6(11)14/h3H,8H2,1-2H3
InChIKeyKFBRJTGCCLXYNG-UHFFFAOYSA-N
XLogP-1.39
TPSA91.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.18
LogP ≤ 5-1.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-amino-1,3-dimethylpurine-2,6-dione 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

Xanthine, 1,3,8,8-tetramethyl-
CID 120343
Dihydro-1h-purine-2,6-dione
CID 20088927
1.3.4-Trimethylxanthin
CID 89710147
1,3-Dimethylpurine-2,6,8-trione
CID 14754220
Dimethylpropylxanthine
CID 129735825
1,3-dimethyl-4H-purine-2,6-dione
CID 8525
1-Methylpurine-2,6-dione
CID 9942236
1H-Purine-2,6,8(3H)-trione,7,9-dihydro-3-methyl-
CID 10035199
5-Amino-1,3-dimethylpurine-2,6-dione
CID 18504546
1-methyl-3H-purine-2,6,8-trione
CID 136250268
1-Propyl-3,4-dihydropurine-2,6-dione
CID 141216690
4-Isocyano-1,3,9-trimethylpurine-2,6,8-trione
CID 141291663

Frequently Asked Questions

What is the IUPAC name of 4-amino-1,3-dimethylpurine-2,6-dione?
The IUPAC name of 4-amino-1,3-dimethylpurine-2,6-dione (CID 162518008) is 4-amino-1,3-dimethylpurine-2,6-dione.
What is the SMILES notation for 4-amino-1,3-dimethylpurine-2,6-dione?
The canonical SMILES for 4-amino-1,3-dimethylpurine-2,6-dione is CN1C(=O)C2=NC=NC2(N)N(C)C1=O.
What is the InChIKey of 4-amino-1,3-dimethylpurine-2,6-dione?
The InChIKey is KFBRJTGCCLXYNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5O2/c1-11-5(13)4-7(8,10-3-9-4)12(2)6(11)14/h3H,8H2,1-2H3.
What are the key properties of 4-amino-1,3-dimethylpurine-2,6-dione?
4-amino-1,3-dimethylpurine-2,6-dione has a molecular weight of 195.18 g/mol, XLogP of -1.39, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1,3-dimethylpurine-2,6-dione is sourced from PubChem (CID 162518008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).