azane;copper;bis(6-oxo-1H-pyrimidin-2-olate)

C8H12CuN6O4-2 — CID 50932756

IUPACazane;copper;bis(6-oxo-1H-pyrimidin-2-olate)
SMILESN.N.O=c1ccnc([O-])[nH]1.O=c1ccnc([O-])[nH]1.[Cu]
InChIInChI=1S/2C4H4N2O2.Cu.2H3N/c2*7-3-1-2-5-4(8)6-3;;;/h2*1-2H,(H2,5,6,7,8);;2*1H3/p-2
InChIKeyACKUIHLPRKRKRG-UHFFFAOYSA-L
MW319.77 g/mol
LogP-1.99
Rot. Bonds

About azane;copper;bis(6-oxo-1H-pyrimidin-2-olate)

azane;copper;bis(6-oxo-1H-pyrimidin-2-olate) (PubChem CID 50932756) has the molecular formula C8H12CuN6O4-2 and a molecular weight of 319.77 g/mol. Its IUPAC name is azane;copper;bis(6-oxo-1H-pyrimidin-2-olate).

Molecular Properties

Compound Nameazane;copper;bis(6-oxo-1H-pyrimidin-2-olate)
PubChem CID50932756
Molecular FormulaC8H12CuN6O4-2
Molecular Weight319.77 g/mol
Exact Mass319.02
IUPAC Nameazane;copper;bis(6-oxo-1H-pyrimidin-2-olate)
SMILESN.N.O=c1ccnc([O-])[nH]1.O=c1ccnc([O-])[nH]1.[Cu]
InChIInChI=1S/2C4H4N2O2.Cu.2H3N/c2*7-3-1-2-5-4(8)6-3;;;/h2*1-2H,(H2,5,6,7,8);;2*1H3/p-2
InChIKeyACKUIHLPRKRKRG-UHFFFAOYSA-L
XLogP-1.99
TPSA207.62 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.77
LogP ≤ 5-1.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of azane;copper;bis(6-oxo-1H-pyrimidin-2-olate)?
The IUPAC name of azane;copper;bis(6-oxo-1H-pyrimidin-2-olate) (CID 50932756) is azane;copper;bis(6-oxo-1H-pyrimidin-2-olate).
What is the SMILES notation for azane;copper;bis(6-oxo-1H-pyrimidin-2-olate)?
The canonical SMILES for azane;copper;bis(6-oxo-1H-pyrimidin-2-olate) is N.N.O=c1ccnc([O-])[nH]1.O=c1ccnc([O-])[nH]1.[Cu].
What is the InChIKey of azane;copper;bis(6-oxo-1H-pyrimidin-2-olate)?
The InChIKey is ACKUIHLPRKRKRG-UHFFFAOYSA-L. The full InChI is InChI=1S/2C4H4N2O2.Cu.2H3N/c2*7-3-1-2-5-4(8)6-3;;;/h2*1-2H,(H2,5,6,7,8);;2*1H3/p-2.
What are the key properties of azane;copper;bis(6-oxo-1H-pyrimidin-2-olate)?
azane;copper;bis(6-oxo-1H-pyrimidin-2-olate) has a molecular weight of 319.77 g/mol, XLogP of -1.99, 0 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for azane;copper;bis(6-oxo-1H-pyrimidin-2-olate) is sourced from PubChem (CID 50932756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).