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

C9H9KN2O6 — CID 23664820

IUPACpotassium 5-carboxy-2,4-dioxo-3-propan-2-yl-1H-pyrimidine-6-carboxylate
SMILESCC(C)n1c(=O)[nH]c(C(=O)[O-])c(C(=O)O)c1=O.[K+]
InChIInChI=1S/C9H10N2O6.K/c1-3(2)11-6(12)4(7(13)14)5(8(15)16)10-9(11)17;/h3H,1-2H3,(H,10,17)(H,13,14)(H,15,16);/q;+1/p-1
InChIKeyFRTKHWQFCOTGBL-UHFFFAOYSA-M
MW280.28 g/mol
LogP-4.82
Rot. Bonds3

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

potassium 5-carboxy-2,4-dioxo-3-propan-2-yl-1H-pyrimidine-6-carboxylate (PubChem CID 23664820) has the molecular formula C9H9KN2O6 and a molecular weight of 280.28 g/mol. Its IUPAC name is potassium 5-carboxy-2,4-dioxo-3-propan-2-yl-1H-pyrimidine-6-carboxylate.

Molecular Properties

Compound Namepotassium 5-carboxy-2,4-dioxo-3-propan-2-yl-1H-pyrimidine-6-carboxylate
PubChem CID23664820
Molecular FormulaC9H9KN2O6
Molecular Weight280.28 g/mol
Exact Mass280.01
IUPAC Namepotassium 5-carboxy-2,4-dioxo-3-propan-2-yl-1H-pyrimidine-6-carboxylate
SMILESCC(C)n1c(=O)[nH]c(C(=O)[O-])c(C(=O)O)c1=O.[K+]
InChIInChI=1S/C9H10N2O6.K/c1-3(2)11-6(12)4(7(13)14)5(8(15)16)10-9(11)17;/h3H,1-2H3,(H,10,17)(H,13,14)(H,15,16);/q;+1/p-1
InChIKeyFRTKHWQFCOTGBL-UHFFFAOYSA-M
XLogP-4.82
TPSA132.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 5-4.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of potassium 5-carboxy-2,4-dioxo-3-propan-2-yl-1H-pyrimidine-6-carboxylate?
The IUPAC name of potassium 5-carboxy-2,4-dioxo-3-propan-2-yl-1H-pyrimidine-6-carboxylate (CID 23664820) is potassium 5-carboxy-2,4-dioxo-3-propan-2-yl-1H-pyrimidine-6-carboxylate.
What is the SMILES notation for potassium 5-carboxy-2,4-dioxo-3-propan-2-yl-1H-pyrimidine-6-carboxylate?
The canonical SMILES for potassium 5-carboxy-2,4-dioxo-3-propan-2-yl-1H-pyrimidine-6-carboxylate is CC(C)n1c(=O)[nH]c(C(=O)[O-])c(C(=O)O)c1=O.[K+].
What is the InChIKey of potassium 5-carboxy-2,4-dioxo-3-propan-2-yl-1H-pyrimidine-6-carboxylate?
The InChIKey is FRTKHWQFCOTGBL-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H10N2O6.K/c1-3(2)11-6(12)4(7(13)14)5(8(15)16)10-9(11)17;/h3H,1-2H3,(H,10,17)(H,13,14)(H,15,16);/q;+1/p-1.
What are the key properties of potassium 5-carboxy-2,4-dioxo-3-propan-2-yl-1H-pyrimidine-6-carboxylate?
potassium 5-carboxy-2,4-dioxo-3-propan-2-yl-1H-pyrimidine-6-carboxylate has a molecular weight of 280.28 g/mol, XLogP of -4.82, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 5-carboxy-2,4-dioxo-3-propan-2-yl-1H-pyrimidine-6-carboxylate is sourced from PubChem (CID 23664820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).