2,4-dioxo-1H-pyrimidine-6-carboxylic acid;nickel

C5H4N2NiO4 — CID 174829099

IUPAC2,4-dioxo-1H-pyrimidine-6-carboxylic acid;nickel
SMILESO=C(O)c1cc(=O)[nH]c(=O)[nH]1.[Ni]
InChIInChI=1S/C5H4N2O4.Ni/c8-3-1-2(4(9)10)6-5(11)7-3;/h1H,(H,9,10)(H2,6,7,8,11);
InChIKeyHCNWECQWDFSOQV-UHFFFAOYSA-N
MW214.79 g/mol
LogP-1.24
Rot. Bonds1

About 2,4-dioxo-1H-pyrimidine-6-carboxylic acid;nickel

2,4-dioxo-1H-pyrimidine-6-carboxylic acid;nickel (PubChem CID 174829099) has the molecular formula C5H4N2NiO4 and a molecular weight of 214.79 g/mol. Its IUPAC name is 2,4-dioxo-1H-pyrimidine-6-carboxylic acid;nickel.

Molecular Properties

Compound Name2,4-dioxo-1H-pyrimidine-6-carboxylic acid;nickel
PubChem CID174829099
Molecular FormulaC5H4N2NiO4
Molecular Weight214.79 g/mol
Exact Mass213.95
IUPAC Name2,4-dioxo-1H-pyrimidine-6-carboxylic acid;nickel
SMILESO=C(O)c1cc(=O)[nH]c(=O)[nH]1.[Ni]
InChIInChI=1S/C5H4N2O4.Ni/c8-3-1-2(4(9)10)6-5(11)7-3;/h1H,(H,9,10)(H2,6,7,8,11);
InChIKeyHCNWECQWDFSOQV-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 ≤ 500214.79
LogP ≤ 5-1.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dioxo-1H-pyrimidine-6-carboxylic acid;phosphono dihydrogen phosphate
CID 118539946
calcium;2,4-dioxo-1H-pyrimidine-6-carboxylic acid;2-oxido-6-oxo-1H-pyrimidine-4-carboxylate
CID 136794843
silver 2,4-dioxo-1H-pyrimidine-6-carboxylate
CID 12853056
2,4-dioxo-1H-pyrimidine-6-carboxylate;2,4-dioxo-1H-pyrimidine-6-carboxylic acid;pyridin-1-ium-4-amine
CID 139204659
6-(2-methylpropanoyl)-1H-pyrimidine-2,4-dione
CID 58482877
N-iodo-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 129203750
(5-aminotriazol-1-yl)carbamic acid;2,4-dioxo-1H-pyrimidine-6-carboxylic acid
CID 68729461
2,4-dioxo-1H-pyrimidine-6-carboxylic acid;7H-purin-6-amine
CID 71761480
6-(4-bromobenzoyl)-1H-pyrimidine-2,4-dione
CID 11119974
bis(2-[carbamimidoyl(methyl)amino]acetic acid);2,4-dioxo-1H-pyrimidine-6-carboxylic acid
CID 131724698
trimethylstannyl 2,4-dioxo-1H-pyrimidine-6-carboxylate
CID 16709849
N,N-diethyl-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 60635867

Frequently Asked Questions

What is the IUPAC name of 2,4-dioxo-1H-pyrimidine-6-carboxylic acid;nickel?
The IUPAC name of 2,4-dioxo-1H-pyrimidine-6-carboxylic acid;nickel (CID 174829099) is 2,4-dioxo-1H-pyrimidine-6-carboxylic acid;nickel.
What is the SMILES notation for 2,4-dioxo-1H-pyrimidine-6-carboxylic acid;nickel?
The canonical SMILES for 2,4-dioxo-1H-pyrimidine-6-carboxylic acid;nickel is O=C(O)c1cc(=O)[nH]c(=O)[nH]1.[Ni].
What is the InChIKey of 2,4-dioxo-1H-pyrimidine-6-carboxylic acid;nickel?
The InChIKey is HCNWECQWDFSOQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N2O4.Ni/c8-3-1-2(4(9)10)6-5(11)7-3;/h1H,(H,9,10)(H2,6,7,8,11);.
What are the key properties of 2,4-dioxo-1H-pyrimidine-6-carboxylic acid;nickel?
2,4-dioxo-1H-pyrimidine-6-carboxylic acid;nickel has a molecular weight of 214.79 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 2,4-dioxo-1H-pyrimidine-6-carboxylic acid;nickel is sourced from PubChem (CID 174829099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).