magnesium;2,4-dioxo-1H-pyrimidine-6-carboxylate;2-methylbut-2-enoate

C10H10MgN2O6 — CID 175137318

IUPACmagnesium;2,4-dioxo-1H-pyrimidine-6-carboxylate;2-methylbut-2-enoate
SMILESCC=C(C)C(=O)[O-].O=C([O-])c1cc(=O)[nH]c(=O)[nH]1.[Mg+2]
InChIInChI=1S/C5H4N2O4.C5H8O2.Mg/c8-3-1-2(4(9)10)6-5(11)7-3;1-3-4(2)5(6)7;/h1H,(H,9,10)(H2,6,7,8,11);3H,1-2H3,(H,6,7);/q;;+2/p-2
InChIKeyKVHGCKWATVEMLE-UHFFFAOYSA-L
MW278.50 g/mol
LogP-3.25
Rot. Bonds2

About magnesium;2,4-dioxo-1H-pyrimidine-6-carboxylate;2-methylbut-2-enoate

magnesium;2,4-dioxo-1H-pyrimidine-6-carboxylate;2-methylbut-2-enoate (PubChem CID 175137318) has the molecular formula C10H10MgN2O6 and a molecular weight of 278.50 g/mol. Its IUPAC name is magnesium;2,4-dioxo-1H-pyrimidine-6-carboxylate;2-methylbut-2-enoate.

Molecular Properties

Compound Namemagnesium;2,4-dioxo-1H-pyrimidine-6-carboxylate;2-methylbut-2-enoate
PubChem CID175137318
Molecular FormulaC10H10MgN2O6
Molecular Weight278.50 g/mol
Exact Mass278.04
IUPAC Namemagnesium;2,4-dioxo-1H-pyrimidine-6-carboxylate;2-methylbut-2-enoate
SMILESCC=C(C)C(=O)[O-].O=C([O-])c1cc(=O)[nH]c(=O)[nH]1.[Mg+2]
InChIInChI=1S/C5H4N2O4.C5H8O2.Mg/c8-3-1-2(4(9)10)6-5(11)7-3;1-3-4(2)5(6)7;/h1H,(H,9,10)(H2,6,7,8,11);3H,1-2H3,(H,6,7);/q;;+2/p-2
InChIKeyKVHGCKWATVEMLE-UHFFFAOYSA-L
XLogP-3.25
TPSA145.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.50
LogP ≤ 5-3.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

silver 2,4-dioxo-1H-pyrimidine-6-carboxylate
CID 12853056
2-methylbut-2-enoate
CID 20982153
2,4-dioxo-1H-pyrimidine-6-carboxylic acid;nickel
CID 174829099
2,4-dioxo-1H-pyrimidine-6-carboxylate;2,4-dioxo-1H-pyrimidine-6-carboxylic acid;pyridin-1-ium-4-amine
CID 139204659
gallium tris((Z)-2-methylbut-2-enoate)
CID 175178881
6-(2-methylpropanoyl)-1H-pyrimidine-2,4-dione
CID 58482877
N-(4-acetamidophenyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 110698333
N,N-diethyl-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 60635867
trimethylstannyl 2,4-dioxo-1H-pyrimidine-6-carboxylate
CID 16709849
N-iodo-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 129203750
calcium;2,4-dioxo-1H-pyrimidine-6-carboxylic acid;2-oxido-6-oxo-1H-pyrimidine-4-carboxylate
CID 136794843
6-(4-bromobenzoyl)-1H-pyrimidine-2,4-dione
CID 11119974

Frequently Asked Questions

What is the IUPAC name of magnesium;2,4-dioxo-1H-pyrimidine-6-carboxylate;2-methylbut-2-enoate?
The IUPAC name of magnesium;2,4-dioxo-1H-pyrimidine-6-carboxylate;2-methylbut-2-enoate (CID 175137318) is magnesium;2,4-dioxo-1H-pyrimidine-6-carboxylate;2-methylbut-2-enoate.
What is the SMILES notation for magnesium;2,4-dioxo-1H-pyrimidine-6-carboxylate;2-methylbut-2-enoate?
The canonical SMILES for magnesium;2,4-dioxo-1H-pyrimidine-6-carboxylate;2-methylbut-2-enoate is CC=C(C)C(=O)[O-].O=C([O-])c1cc(=O)[nH]c(=O)[nH]1.[Mg+2].
What is the InChIKey of magnesium;2,4-dioxo-1H-pyrimidine-6-carboxylate;2-methylbut-2-enoate?
The InChIKey is KVHGCKWATVEMLE-UHFFFAOYSA-L. The full InChI is InChI=1S/C5H4N2O4.C5H8O2.Mg/c8-3-1-2(4(9)10)6-5(11)7-3;1-3-4(2)5(6)7;/h1H,(H,9,10)(H2,6,7,8,11);3H,1-2H3,(H,6,7);/q;;+2/p-2.
What are the key properties of magnesium;2,4-dioxo-1H-pyrimidine-6-carboxylate;2-methylbut-2-enoate?
magnesium;2,4-dioxo-1H-pyrimidine-6-carboxylate;2-methylbut-2-enoate has a molecular weight of 278.50 g/mol, XLogP of -3.25, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;2,4-dioxo-1H-pyrimidine-6-carboxylate;2-methylbut-2-enoate is sourced from PubChem (CID 175137318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).