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

C10H11KN2O6 — CID 23664821

IUPACpotassium 3-butyl-5-carboxy-2,4-dioxo-1H-pyrimidine-6-carboxylate
SMILESCCCCn1c(=O)[nH]c(C(=O)[O-])c(C(=O)O)c1=O.[K+]
InChIInChI=1S/C10H12N2O6.K/c1-2-3-4-12-7(13)5(8(14)15)6(9(16)17)11-10(12)18;/h2-4H2,1H3,(H,11,18)(H,14,15)(H,16,17);/q;+1/p-1
InChIKeyFVDZARINTHREEN-UHFFFAOYSA-M
MW294.30 g/mol
LogP-4.60
Rot. Bonds5

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

potassium 3-butyl-5-carboxy-2,4-dioxo-1H-pyrimidine-6-carboxylate (PubChem CID 23664821) has the molecular formula C10H11KN2O6 and a molecular weight of 294.30 g/mol. Its IUPAC name is potassium 3-butyl-5-carboxy-2,4-dioxo-1H-pyrimidine-6-carboxylate.

Molecular Properties

Compound Namepotassium 3-butyl-5-carboxy-2,4-dioxo-1H-pyrimidine-6-carboxylate
PubChem CID23664821
Molecular FormulaC10H11KN2O6
Molecular Weight294.30 g/mol
Exact Mass294.03
IUPAC Namepotassium 3-butyl-5-carboxy-2,4-dioxo-1H-pyrimidine-6-carboxylate
SMILESCCCCn1c(=O)[nH]c(C(=O)[O-])c(C(=O)O)c1=O.[K+]
InChIInChI=1S/C10H12N2O6.K/c1-2-3-4-12-7(13)5(8(14)15)6(9(16)17)11-10(12)18;/h2-4H2,1H3,(H,11,18)(H,14,15)(H,16,17);/q;+1/p-1
InChIKeyFVDZARINTHREEN-UHFFFAOYSA-M
XLogP-4.60
TPSA132.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.30
LogP ≤ 5-4.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of potassium 3-butyl-5-carboxy-2,4-dioxo-1H-pyrimidine-6-carboxylate?
The IUPAC name of potassium 3-butyl-5-carboxy-2,4-dioxo-1H-pyrimidine-6-carboxylate (CID 23664821) is potassium 3-butyl-5-carboxy-2,4-dioxo-1H-pyrimidine-6-carboxylate.
What is the SMILES notation for potassium 3-butyl-5-carboxy-2,4-dioxo-1H-pyrimidine-6-carboxylate?
The canonical SMILES for potassium 3-butyl-5-carboxy-2,4-dioxo-1H-pyrimidine-6-carboxylate is CCCCn1c(=O)[nH]c(C(=O)[O-])c(C(=O)O)c1=O.[K+].
What is the InChIKey of potassium 3-butyl-5-carboxy-2,4-dioxo-1H-pyrimidine-6-carboxylate?
The InChIKey is FVDZARINTHREEN-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H12N2O6.K/c1-2-3-4-12-7(13)5(8(14)15)6(9(16)17)11-10(12)18;/h2-4H2,1H3,(H,11,18)(H,14,15)(H,16,17);/q;+1/p-1.
What are the key properties of potassium 3-butyl-5-carboxy-2,4-dioxo-1H-pyrimidine-6-carboxylate?
potassium 3-butyl-5-carboxy-2,4-dioxo-1H-pyrimidine-6-carboxylate has a molecular weight of 294.30 g/mol, XLogP of -4.60, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 3-butyl-5-carboxy-2,4-dioxo-1H-pyrimidine-6-carboxylate is sourced from PubChem (CID 23664821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).