copper bis(2,4-dioxo-1H-pyrimidine-6-carboxylate)

C10H6CuN4O8 — CID 44621237

IUPACcopper bis(2,4-dioxo-1H-pyrimidine-6-carboxylate)
SMILESO=C([O-])c1cc(=O)[nH]c(=O)[nH]1.O=C([O-])c1cc(=O)[nH]c(=O)[nH]1.[Cu+2]
InChIInChI=1S/2C5H4N2O4.Cu/c2*8-3-1-2(4(9)10)6-5(11)7-3;/h2*1H,(H,9,10)(H2,6,7,8,11);/q;;+2/p-2
InChIKeyWKQFGWKSVRJAMI-UHFFFAOYSA-L
MW373.72 g/mol
LogP-5.15
Rot. Bonds2

About copper bis(2,4-dioxo-1H-pyrimidine-6-carboxylate)

copper bis(2,4-dioxo-1H-pyrimidine-6-carboxylate) (PubChem CID 44621237) has the molecular formula C10H6CuN4O8 and a molecular weight of 373.72 g/mol. Its IUPAC name is copper bis(2,4-dioxo-1H-pyrimidine-6-carboxylate).

Molecular Properties

Compound Namecopper bis(2,4-dioxo-1H-pyrimidine-6-carboxylate)
PubChem CID44621237
Molecular FormulaC10H6CuN4O8
Molecular Weight373.72 g/mol
Exact Mass372.95
IUPAC Namecopper bis(2,4-dioxo-1H-pyrimidine-6-carboxylate)
SMILESO=C([O-])c1cc(=O)[nH]c(=O)[nH]1.O=C([O-])c1cc(=O)[nH]c(=O)[nH]1.[Cu+2]
InChIInChI=1S/2C5H4N2O4.Cu/c2*8-3-1-2(4(9)10)6-5(11)7-3;/h2*1H,(H,9,10)(H2,6,7,8,11);/q;;+2/p-2
InChIKeyWKQFGWKSVRJAMI-UHFFFAOYSA-L
XLogP-5.15
TPSA211.70 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.72
LogP ≤ 5-5.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of copper bis(2,4-dioxo-1H-pyrimidine-6-carboxylate)?
The IUPAC name of copper bis(2,4-dioxo-1H-pyrimidine-6-carboxylate) (CID 44621237) is copper bis(2,4-dioxo-1H-pyrimidine-6-carboxylate).
What is the SMILES notation for copper bis(2,4-dioxo-1H-pyrimidine-6-carboxylate)?
The canonical SMILES for copper bis(2,4-dioxo-1H-pyrimidine-6-carboxylate) is O=C([O-])c1cc(=O)[nH]c(=O)[nH]1.O=C([O-])c1cc(=O)[nH]c(=O)[nH]1.[Cu+2].
What is the InChIKey of copper bis(2,4-dioxo-1H-pyrimidine-6-carboxylate)?
The InChIKey is WKQFGWKSVRJAMI-UHFFFAOYSA-L. The full InChI is InChI=1S/2C5H4N2O4.Cu/c2*8-3-1-2(4(9)10)6-5(11)7-3;/h2*1H,(H,9,10)(H2,6,7,8,11);/q;;+2/p-2.
What are the key properties of copper bis(2,4-dioxo-1H-pyrimidine-6-carboxylate)?
copper bis(2,4-dioxo-1H-pyrimidine-6-carboxylate) has a molecular weight of 373.72 g/mol, XLogP of -5.15, 2 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for copper bis(2,4-dioxo-1H-pyrimidine-6-carboxylate) is sourced from PubChem (CID 44621237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).