potassium 6-carboxypyrimidine-4-carboxylate

C6H3KN2O4 — CID 139151596

IUPACpotassium 6-carboxypyrimidine-4-carboxylate
SMILESO=C([O-])c1cc(C(=O)O)ncn1.[K+]
InChIInChI=1S/C6H4N2O4.K/c9-5(10)3-1-4(6(11)12)8-2-7-3;/h1-2H,(H,9,10)(H,11,12);/q;+1/p-1
InChIKeyODBMJRRZNVSZBE-UHFFFAOYSA-M
MW206.20 g/mol
LogP-4.46
Rot. Bonds2

About potassium 6-carboxypyrimidine-4-carboxylate

potassium 6-carboxypyrimidine-4-carboxylate (PubChem CID 139151596) has the molecular formula C6H3KN2O4 and a molecular weight of 206.20 g/mol. Its IUPAC name is potassium 6-carboxypyrimidine-4-carboxylate.

Molecular Properties

Compound Namepotassium 6-carboxypyrimidine-4-carboxylate
PubChem CID139151596
Molecular FormulaC6H3KN2O4
Molecular Weight206.20 g/mol
Exact Mass205.97
IUPAC Namepotassium 6-carboxypyrimidine-4-carboxylate
SMILESO=C([O-])c1cc(C(=O)O)ncn1.[K+]
InChIInChI=1S/C6H4N2O4.K/c9-5(10)3-1-4(6(11)12)8-2-7-3;/h1-2H,(H,9,10)(H,11,12);/q;+1/p-1
InChIKeyODBMJRRZNVSZBE-UHFFFAOYSA-M
XLogP-4.46
TPSA103.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 5-4.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze potassium 6-carboxypyrimidine-4-carboxylate 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 6-carboxypyrimidine-4-carboxylate?
The IUPAC name of potassium 6-carboxypyrimidine-4-carboxylate (CID 139151596) is potassium 6-carboxypyrimidine-4-carboxylate.
What is the SMILES notation for potassium 6-carboxypyrimidine-4-carboxylate?
The canonical SMILES for potassium 6-carboxypyrimidine-4-carboxylate is O=C([O-])c1cc(C(=O)O)ncn1.[K+].
What is the InChIKey of potassium 6-carboxypyrimidine-4-carboxylate?
The InChIKey is ODBMJRRZNVSZBE-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H4N2O4.K/c9-5(10)3-1-4(6(11)12)8-2-7-3;/h1-2H,(H,9,10)(H,11,12);/q;+1/p-1.
What are the key properties of potassium 6-carboxypyrimidine-4-carboxylate?
potassium 6-carboxypyrimidine-4-carboxylate has a molecular weight of 206.20 g/mol, XLogP of -4.46, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 6-carboxypyrimidine-4-carboxylate is sourced from PubChem (CID 139151596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).