potassium 5-carboxy-3-cyclohexyl-2,4-dioxo-1H-pyrimidine-6-carboxylate

C12H13KN2O6 — CID 23664822

IUPACpotassium 5-carboxy-3-cyclohexyl-2,4-dioxo-1H-pyrimidine-6-carboxylate
SMILESO=C([O-])c1[nH]c(=O)n(C2CCCCC2)c(=O)c1C(=O)O.[K+]
InChIInChI=1S/C12H14N2O6.K/c15-9-7(10(16)17)8(11(18)19)13-12(20)14(9)6-4-2-1-3-5-6;/h6H,1-5H2,(H,13,20)(H,16,17)(H,18,19);/q;+1/p-1
InChIKeyVOSJECVTQXWZAO-UHFFFAOYSA-M
MW320.34 g/mol
LogP-3.89
Rot. Bonds3

About potassium 5-carboxy-3-cyclohexyl-2,4-dioxo-1H-pyrimidine-6-carboxylate

potassium 5-carboxy-3-cyclohexyl-2,4-dioxo-1H-pyrimidine-6-carboxylate (PubChem CID 23664822) has the molecular formula C12H13KN2O6 and a molecular weight of 320.34 g/mol. Its IUPAC name is potassium 5-carboxy-3-cyclohexyl-2,4-dioxo-1H-pyrimidine-6-carboxylate.

Molecular Properties

Compound Namepotassium 5-carboxy-3-cyclohexyl-2,4-dioxo-1H-pyrimidine-6-carboxylate
PubChem CID23664822
Molecular FormulaC12H13KN2O6
Molecular Weight320.34 g/mol
Exact Mass320.04
IUPAC Namepotassium 5-carboxy-3-cyclohexyl-2,4-dioxo-1H-pyrimidine-6-carboxylate
SMILESO=C([O-])c1[nH]c(=O)n(C2CCCCC2)c(=O)c1C(=O)O.[K+]
InChIInChI=1S/C12H14N2O6.K/c15-9-7(10(16)17)8(11(18)19)13-12(20)14(9)6-4-2-1-3-5-6;/h6H,1-5H2,(H,13,20)(H,16,17)(H,18,19);/q;+1/p-1
InChIKeyVOSJECVTQXWZAO-UHFFFAOYSA-M
XLogP-3.89
TPSA132.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.34
LogP ≤ 5-3.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of potassium 5-carboxy-3-cyclohexyl-2,4-dioxo-1H-pyrimidine-6-carboxylate?
The IUPAC name of potassium 5-carboxy-3-cyclohexyl-2,4-dioxo-1H-pyrimidine-6-carboxylate (CID 23664822) is potassium 5-carboxy-3-cyclohexyl-2,4-dioxo-1H-pyrimidine-6-carboxylate.
What is the SMILES notation for potassium 5-carboxy-3-cyclohexyl-2,4-dioxo-1H-pyrimidine-6-carboxylate?
The canonical SMILES for potassium 5-carboxy-3-cyclohexyl-2,4-dioxo-1H-pyrimidine-6-carboxylate is O=C([O-])c1[nH]c(=O)n(C2CCCCC2)c(=O)c1C(=O)O.[K+].
What is the InChIKey of potassium 5-carboxy-3-cyclohexyl-2,4-dioxo-1H-pyrimidine-6-carboxylate?
The InChIKey is VOSJECVTQXWZAO-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H14N2O6.K/c15-9-7(10(16)17)8(11(18)19)13-12(20)14(9)6-4-2-1-3-5-6;/h6H,1-5H2,(H,13,20)(H,16,17)(H,18,19);/q;+1/p-1.
What are the key properties of potassium 5-carboxy-3-cyclohexyl-2,4-dioxo-1H-pyrimidine-6-carboxylate?
potassium 5-carboxy-3-cyclohexyl-2,4-dioxo-1H-pyrimidine-6-carboxylate has a molecular weight of 320.34 g/mol, XLogP of -3.89, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 5-carboxy-3-cyclohexyl-2,4-dioxo-1H-pyrimidine-6-carboxylate is sourced from PubChem (CID 23664822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).