bis(2,4-dioxo-1H-pyrimidine-6-carboxylic acid);zinc;dihydrate

C10H12N4O10Zn — CID 71307491

IUPACbis(2,4-dioxo-1H-pyrimidine-6-carboxylic acid);zinc;dihydrate
SMILESO.O.O=C(O)c1cc(=O)[nH]c(=O)[nH]1.O=C(O)c1cc(=O)[nH]c(=O)[nH]1.[Zn]
InChIInChI=1S/2C5H4N2O4.2H2O.Zn/c2*8-3-1-2(4(9)10)6-5(11)7-3;;;/h2*1H,(H,9,10)(H2,6,7,8,11);2*1H2;
InChIKeyCFEFMEOXJWSKJJ-UHFFFAOYSA-N
MW413.61 g/mol
LogP-4.13
Rot. Bonds2

About bis(2,4-dioxo-1H-pyrimidine-6-carboxylic acid);zinc;dihydrate

bis(2,4-dioxo-1H-pyrimidine-6-carboxylic acid);zinc;dihydrate (PubChem CID 71307491) has the molecular formula C10H12N4O10Zn and a molecular weight of 413.61 g/mol. Its IUPAC name is bis(2,4-dioxo-1H-pyrimidine-6-carboxylic acid);zinc;dihydrate.

Molecular Properties

Compound Namebis(2,4-dioxo-1H-pyrimidine-6-carboxylic acid);zinc;dihydrate
PubChem CID71307491
Molecular FormulaC10H12N4O10Zn
Molecular Weight413.61 g/mol
Exact Mass411.98
IUPAC Namebis(2,4-dioxo-1H-pyrimidine-6-carboxylic acid);zinc;dihydrate
SMILESO.O.O=C(O)c1cc(=O)[nH]c(=O)[nH]1.O=C(O)c1cc(=O)[nH]c(=O)[nH]1.[Zn]
InChIInChI=1S/2C5H4N2O4.2H2O.Zn/c2*8-3-1-2(4(9)10)6-5(11)7-3;;;/h2*1H,(H,9,10)(H2,6,7,8,11);2*1H2;
InChIKeyCFEFMEOXJWSKJJ-UHFFFAOYSA-N
XLogP-4.13
TPSA269.04 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.61
LogP ≤ 5-4.13
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze bis(2,4-dioxo-1H-pyrimidine-6-carboxylic acid);zinc;dihydrate 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 bis(2,4-dioxo-1H-pyrimidine-6-carboxylic acid);zinc;dihydrate?
The IUPAC name of bis(2,4-dioxo-1H-pyrimidine-6-carboxylic acid);zinc;dihydrate (CID 71307491) is bis(2,4-dioxo-1H-pyrimidine-6-carboxylic acid);zinc;dihydrate.
What is the SMILES notation for bis(2,4-dioxo-1H-pyrimidine-6-carboxylic acid);zinc;dihydrate?
The canonical SMILES for bis(2,4-dioxo-1H-pyrimidine-6-carboxylic acid);zinc;dihydrate is O.O.O=C(O)c1cc(=O)[nH]c(=O)[nH]1.O=C(O)c1cc(=O)[nH]c(=O)[nH]1.[Zn].
What is the InChIKey of bis(2,4-dioxo-1H-pyrimidine-6-carboxylic acid);zinc;dihydrate?
The InChIKey is CFEFMEOXJWSKJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H4N2O4.2H2O.Zn/c2*8-3-1-2(4(9)10)6-5(11)7-3;;;/h2*1H,(H,9,10)(H2,6,7,8,11);2*1H2;.
What are the key properties of bis(2,4-dioxo-1H-pyrimidine-6-carboxylic acid);zinc;dihydrate?
bis(2,4-dioxo-1H-pyrimidine-6-carboxylic acid);zinc;dihydrate has a molecular weight of 413.61 g/mol, XLogP of -4.13, 2 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,4-dioxo-1H-pyrimidine-6-carboxylic acid);zinc;dihydrate is sourced from PubChem (CID 71307491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).