potassium;carbanide;4-methyl-3H-purine-2,6-dione

C7H9KN4O2 — CID 88774272

IUPACpotassium;carbanide;4-methyl-3H-purine-2,6-dione
SMILESCC12N=CN=C1C(=O)NC(=O)N2.[CH3-].[K+]
InChIInChI=1S/C6H6N4O2.CH3.K/c1-6-3(7-2-8-6)4(11)9-5(12)10-6;;/h2H,1H3,(H2,9,10,11,12);1H3;/q;-1;+1
InChIKeyQTXVSJMXOYXIDY-UHFFFAOYSA-N
MW220.27 g/mol
LogP-3.52
Rot. Bonds

About potassium;carbanide;4-methyl-3H-purine-2,6-dione

potassium;carbanide;4-methyl-3H-purine-2,6-dione (PubChem CID 88774272) has the molecular formula C7H9KN4O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is potassium;carbanide;4-methyl-3H-purine-2,6-dione.

Molecular Properties

Compound Namepotassium;carbanide;4-methyl-3H-purine-2,6-dione
PubChem CID88774272
Molecular FormulaC7H9KN4O2
Molecular Weight220.27 g/mol
Exact Mass220.04
IUPAC Namepotassium;carbanide;4-methyl-3H-purine-2,6-dione
SMILESCC12N=CN=C1C(=O)NC(=O)N2.[CH3-].[K+]
InChIInChI=1S/C6H6N4O2.CH3.K/c1-6-3(7-2-8-6)4(11)9-5(12)10-6;;/h2H,1H3,(H2,9,10,11,12);1H3;/q;-1;+1
InChIKeyQTXVSJMXOYXIDY-UHFFFAOYSA-N
XLogP-3.52
TPSA82.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 5-3.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze potassium;carbanide;4-methyl-3H-purine-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

Frequently Asked Questions

What is the IUPAC name of potassium;carbanide;4-methyl-3H-purine-2,6-dione?
The IUPAC name of potassium;carbanide;4-methyl-3H-purine-2,6-dione (CID 88774272) is potassium;carbanide;4-methyl-3H-purine-2,6-dione.
What is the SMILES notation for potassium;carbanide;4-methyl-3H-purine-2,6-dione?
The canonical SMILES for potassium;carbanide;4-methyl-3H-purine-2,6-dione is CC12N=CN=C1C(=O)NC(=O)N2.[CH3-].[K+].
What is the InChIKey of potassium;carbanide;4-methyl-3H-purine-2,6-dione?
The InChIKey is QTXVSJMXOYXIDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4O2.CH3.K/c1-6-3(7-2-8-6)4(11)9-5(12)10-6;;/h2H,1H3,(H2,9,10,11,12);1H3;/q;-1;+1.
What are the key properties of potassium;carbanide;4-methyl-3H-purine-2,6-dione?
potassium;carbanide;4-methyl-3H-purine-2,6-dione has a molecular weight of 220.27 g/mol, XLogP of -3.52, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;carbanide;4-methyl-3H-purine-2,6-dione is sourced from PubChem (CID 88774272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).