copper 2,4-dioxo-1H-pyrimidine-5-carboxylic acid

C5H4CuN2O4+2 — CID 54609567

IUPACcopper 2,4-dioxo-1H-pyrimidine-5-carboxylic acid
SMILESO=C(O)c1c[nH]c(=O)[nH]c1=O.[Cu+2]
InChIInChI=1S/C5H4N2O4.Cu/c8-3-2(4(9)10)1-6-5(11)7-3;/h1H,(H,9,10)(H2,6,7,8,11);/q;+2
InChIKeyMJMYYBIEJLAGQE-UHFFFAOYSA-N
MW219.64 g/mol
LogP-1.24
Rot. Bonds1

About copper 2,4-dioxo-1H-pyrimidine-5-carboxylic acid

copper 2,4-dioxo-1H-pyrimidine-5-carboxylic acid (PubChem CID 54609567) has the molecular formula C5H4CuN2O4+2 and a molecular weight of 219.64 g/mol. Its IUPAC name is copper 2,4-dioxo-1H-pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Namecopper 2,4-dioxo-1H-pyrimidine-5-carboxylic acid
PubChem CID54609567
Molecular FormulaC5H4CuN2O4+2
Molecular Weight219.64 g/mol
Exact Mass218.95
IUPAC Namecopper 2,4-dioxo-1H-pyrimidine-5-carboxylic acid
SMILESO=C(O)c1c[nH]c(=O)[nH]c1=O.[Cu+2]
InChIInChI=1S/C5H4N2O4.Cu/c8-3-2(4(9)10)1-6-5(11)7-3;/h1H,(H,9,10)(H2,6,7,8,11);/q;+2
InChIKeyMJMYYBIEJLAGQE-UHFFFAOYSA-N
XLogP-1.24
TPSA103.02 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.64
LogP ≤ 5-1.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of copper 2,4-dioxo-1H-pyrimidine-5-carboxylic acid?
The IUPAC name of copper 2,4-dioxo-1H-pyrimidine-5-carboxylic acid (CID 54609567) is copper 2,4-dioxo-1H-pyrimidine-5-carboxylic acid.
What is the SMILES notation for copper 2,4-dioxo-1H-pyrimidine-5-carboxylic acid?
The canonical SMILES for copper 2,4-dioxo-1H-pyrimidine-5-carboxylic acid is O=C(O)c1c[nH]c(=O)[nH]c1=O.[Cu+2].
What is the InChIKey of copper 2,4-dioxo-1H-pyrimidine-5-carboxylic acid?
The InChIKey is MJMYYBIEJLAGQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N2O4.Cu/c8-3-2(4(9)10)1-6-5(11)7-3;/h1H,(H,9,10)(H2,6,7,8,11);/q;+2.
What are the key properties of copper 2,4-dioxo-1H-pyrimidine-5-carboxylic acid?
copper 2,4-dioxo-1H-pyrimidine-5-carboxylic acid has a molecular weight of 219.64 g/mol, XLogP of -1.24, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for copper 2,4-dioxo-1H-pyrimidine-5-carboxylic acid is sourced from PubChem (CID 54609567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).