zinc;azane;pyrimidin-1-ide-2,4-dione;1H-pyrimidin-3-ide-2,4-dione

C8H12N6O4Zn — CID 139145807

IUPACzinc;azane;pyrimidin-1-ide-2,4-dione;1H-pyrimidin-3-ide-2,4-dione
SMILESN.N.O=c1cc[n-]c(=O)[nH]1.O=c1cc[nH]c(=O)[n-]1.[Zn+2]
InChIInChI=1S/2C4H4N2O2.2H3N.Zn/c2*7-3-1-2-5-4(8)6-3;;;/h2*1-2H,(H2,5,6,7,8);2*1H3;/q;;;;+2/p-2
InChIKeyDNRRJEMEUQTLGS-UHFFFAOYSA-L
MW321.61 g/mol
LogP-2.29
Rot. Bonds

About zinc;azane;pyrimidin-1-ide-2,4-dione;1H-pyrimidin-3-ide-2,4-dione

zinc;azane;pyrimidin-1-ide-2,4-dione;1H-pyrimidin-3-ide-2,4-dione (PubChem CID 139145807) has the molecular formula C8H12N6O4Zn and a molecular weight of 321.61 g/mol. Its IUPAC name is zinc;azane;pyrimidin-1-ide-2,4-dione;1H-pyrimidin-3-ide-2,4-dione.

Molecular Properties

Compound Namezinc;azane;pyrimidin-1-ide-2,4-dione;1H-pyrimidin-3-ide-2,4-dione
PubChem CID139145807
Molecular FormulaC8H12N6O4Zn
Molecular Weight321.61 g/mol
Exact Mass320.02
IUPAC Namezinc;azane;pyrimidin-1-ide-2,4-dione;1H-pyrimidin-3-ide-2,4-dione
SMILESN.N.O=c1cc[n-]c(=O)[nH]1.O=c1cc[nH]c(=O)[n-]1.[Zn+2]
InChIInChI=1S/2C4H4N2O2.2H3N.Zn/c2*7-3-1-2-5-4(8)6-3;;;/h2*1-2H,(H2,5,6,7,8);2*1H3;/q;;;;+2/p-2
InChIKeyDNRRJEMEUQTLGS-UHFFFAOYSA-L
XLogP-2.29
TPSA198.06 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.61
LogP ≤ 5-2.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze zinc;azane;pyrimidin-1-ide-2,4-dione;1H-pyrimidin-3-ide-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of zinc;azane;pyrimidin-1-ide-2,4-dione;1H-pyrimidin-3-ide-2,4-dione?
The IUPAC name of zinc;azane;pyrimidin-1-ide-2,4-dione;1H-pyrimidin-3-ide-2,4-dione (CID 139145807) is zinc;azane;pyrimidin-1-ide-2,4-dione;1H-pyrimidin-3-ide-2,4-dione.
What is the SMILES notation for zinc;azane;pyrimidin-1-ide-2,4-dione;1H-pyrimidin-3-ide-2,4-dione?
The canonical SMILES for zinc;azane;pyrimidin-1-ide-2,4-dione;1H-pyrimidin-3-ide-2,4-dione is N.N.O=c1cc[n-]c(=O)[nH]1.O=c1cc[nH]c(=O)[n-]1.[Zn+2].
What is the InChIKey of zinc;azane;pyrimidin-1-ide-2,4-dione;1H-pyrimidin-3-ide-2,4-dione?
The InChIKey is DNRRJEMEUQTLGS-UHFFFAOYSA-L. The full InChI is InChI=1S/2C4H4N2O2.2H3N.Zn/c2*7-3-1-2-5-4(8)6-3;;;/h2*1-2H,(H2,5,6,7,8);2*1H3;/q;;;;+2/p-2.
What are the key properties of zinc;azane;pyrimidin-1-ide-2,4-dione;1H-pyrimidin-3-ide-2,4-dione?
zinc;azane;pyrimidin-1-ide-2,4-dione;1H-pyrimidin-3-ide-2,4-dione has a molecular weight of 321.61 g/mol, XLogP of -2.29, 0 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;azane;pyrimidin-1-ide-2,4-dione;1H-pyrimidin-3-ide-2,4-dione is sourced from PubChem (CID 139145807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).