potassium 2-oxo-1,7-dihydropurin-6-olate

C5H3KN4O2 — CID 170844848

IUPACpotassium 2-oxo-1,7-dihydropurin-6-olate
SMILESO=c1nc2nc[nH]c2c([O-])[nH]1.[K+]
InChIInChI=1S/C5H4N4O2.K/c10-4-2-3(7-1-6-2)8-5(11)9-4;/h1H,(H3,6,7,8,9,10,11);/q;+1/p-1
InChIKeyVWBWAALEWBNEIR-UHFFFAOYSA-M
MW190.20 g/mol
LogP-4.28
Rot. Bonds

About potassium 2-oxo-1,7-dihydropurin-6-olate

potassium 2-oxo-1,7-dihydropurin-6-olate (PubChem CID 170844848) has the molecular formula C5H3KN4O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is potassium 2-oxo-1,7-dihydropurin-6-olate.

Molecular Properties

Compound Namepotassium 2-oxo-1,7-dihydropurin-6-olate
PubChem CID170844848
Molecular FormulaC5H3KN4O2
Molecular Weight190.20 g/mol
Exact Mass189.99
IUPAC Namepotassium 2-oxo-1,7-dihydropurin-6-olate
SMILESO=c1nc2nc[nH]c2c([O-])[nH]1.[K+]
InChIInChI=1S/C5H4N4O2.K/c10-4-2-3(7-1-6-2)8-5(11)9-4;/h1H,(H3,6,7,8,9,10,11);/q;+1/p-1
InChIKeyVWBWAALEWBNEIR-UHFFFAOYSA-M
XLogP-4.28
TPSA97.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 5-4.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze potassium 2-oxo-1,7-dihydropurin-6-olate 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

6-amino-1,7-dihydropurin-2-one;hydrochloride
CID 67634855
6-(trifluoromethyl)-1,7-dihydropurin-2-one
CID 119082939
2-chloro-1,7-dihydropurin-6-one
CID 135421792
2-chloro-1,7-dihydropurin-6-one
CID 160598455
2-methyl-1,7-dihydropurin-6-one
CID 135449674
1,7-dihydropurin-6-one
CID 135546991
2-amino-1,7-dihydropurin-6-one;dihydrochloride
CID 140978979
sodium 6-oxo-1,7-dihydropurine-2-thiolate
CID 135547004
CID 135997841
CID 135997841
6-(2-chloroanilino)-1,7-dihydropurin-2-one
CID 86270775
2-phenyl-1,7-dihydropurin-6-one
CID 135531822
bis(2-amino-1,7-dihydropurin-6-one);trihydrate;dihydroiodide
CID 135724792

Frequently Asked Questions

What is the IUPAC name of potassium 2-oxo-1,7-dihydropurin-6-olate?
The IUPAC name of potassium 2-oxo-1,7-dihydropurin-6-olate (CID 170844848) is potassium 2-oxo-1,7-dihydropurin-6-olate.
What is the SMILES notation for potassium 2-oxo-1,7-dihydropurin-6-olate?
The canonical SMILES for potassium 2-oxo-1,7-dihydropurin-6-olate is O=c1nc2nc[nH]c2c([O-])[nH]1.[K+].
What is the InChIKey of potassium 2-oxo-1,7-dihydropurin-6-olate?
The InChIKey is VWBWAALEWBNEIR-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H4N4O2.K/c10-4-2-3(7-1-6-2)8-5(11)9-4;/h1H,(H3,6,7,8,9,10,11);/q;+1/p-1.
What are the key properties of potassium 2-oxo-1,7-dihydropurin-6-olate?
potassium 2-oxo-1,7-dihydropurin-6-olate has a molecular weight of 190.20 g/mol, XLogP of -4.28, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2-oxo-1,7-dihydropurin-6-olate is sourced from PubChem (CID 170844848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).