2,4-dioxo-1H-pyrimidine-6-carboxylic acid;manganese(2+);2-oxido-6-oxo-1H-pyrimidine-4-carboxylate

C10H6MnN4O8 — CID 136705173

IUPAC2,4-dioxo-1H-pyrimidine-6-carboxylic acid;manganese(2+);2-oxido-6-oxo-1H-pyrimidine-4-carboxylate
SMILESO=C(O)c1cc(=O)[nH]c(=O)[nH]1.O=C([O-])c1cc(=O)[nH]c([O-])n1.[Mn+2]
InChIInChI=1S/2C5H4N2O4.Mn/c2*8-3-1-2(4(9)10)6-5(11)7-3;/h2*1H,(H,9,10)(H2,6,7,8,11);/q;;+2/p-2
InChIKeyVNHIRKVBSRYPGG-UHFFFAOYSA-L
MW365.12 g/mol
LogP-4.03
Rot. Bonds2

About 2,4-dioxo-1H-pyrimidine-6-carboxylic acid;manganese(2+);2-oxido-6-oxo-1H-pyrimidine-4-carboxylate

2,4-dioxo-1H-pyrimidine-6-carboxylic acid;manganese(2+);2-oxido-6-oxo-1H-pyrimidine-4-carboxylate (PubChem CID 136705173) has the molecular formula C10H6MnN4O8 and a molecular weight of 365.12 g/mol. Its IUPAC name is 2,4-dioxo-1H-pyrimidine-6-carboxylic acid;manganese(2+);2-oxido-6-oxo-1H-pyrimidine-4-carboxylate.

Molecular Properties

Compound Name2,4-dioxo-1H-pyrimidine-6-carboxylic acid;manganese(2+);2-oxido-6-oxo-1H-pyrimidine-4-carboxylate
PubChem CID136705173
Molecular FormulaC10H6MnN4O8
Molecular Weight365.12 g/mol
Exact Mass364.96
IUPAC Name2,4-dioxo-1H-pyrimidine-6-carboxylic acid;manganese(2+);2-oxido-6-oxo-1H-pyrimidine-4-carboxylate
SMILESO=C(O)c1cc(=O)[nH]c(=O)[nH]1.O=C([O-])c1cc(=O)[nH]c([O-])n1.[Mn+2]
InChIInChI=1S/2C5H4N2O4.Mn/c2*8-3-1-2(4(9)10)6-5(11)7-3;/h2*1H,(H,9,10)(H2,6,7,8,11);/q;;+2/p-2
InChIKeyVNHIRKVBSRYPGG-UHFFFAOYSA-L
XLogP-4.03
TPSA211.96 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.12
LogP ≤ 5-4.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2,4-dioxo-1H-pyrimidine-6-carboxylic acid;manganese(2+);2-oxido-6-oxo-1H-pyrimidine-4-carboxylate?
The IUPAC name of 2,4-dioxo-1H-pyrimidine-6-carboxylic acid;manganese(2+);2-oxido-6-oxo-1H-pyrimidine-4-carboxylate (CID 136705173) is 2,4-dioxo-1H-pyrimidine-6-carboxylic acid;manganese(2+);2-oxido-6-oxo-1H-pyrimidine-4-carboxylate.
What is the SMILES notation for 2,4-dioxo-1H-pyrimidine-6-carboxylic acid;manganese(2+);2-oxido-6-oxo-1H-pyrimidine-4-carboxylate?
The canonical SMILES for 2,4-dioxo-1H-pyrimidine-6-carboxylic acid;manganese(2+);2-oxido-6-oxo-1H-pyrimidine-4-carboxylate is O=C(O)c1cc(=O)[nH]c(=O)[nH]1.O=C([O-])c1cc(=O)[nH]c([O-])n1.[Mn+2].
What is the InChIKey of 2,4-dioxo-1H-pyrimidine-6-carboxylic acid;manganese(2+);2-oxido-6-oxo-1H-pyrimidine-4-carboxylate?
The InChIKey is VNHIRKVBSRYPGG-UHFFFAOYSA-L. The full InChI is InChI=1S/2C5H4N2O4.Mn/c2*8-3-1-2(4(9)10)6-5(11)7-3;/h2*1H,(H,9,10)(H2,6,7,8,11);/q;;+2/p-2.
What are the key properties of 2,4-dioxo-1H-pyrimidine-6-carboxylic acid;manganese(2+);2-oxido-6-oxo-1H-pyrimidine-4-carboxylate?
2,4-dioxo-1H-pyrimidine-6-carboxylic acid;manganese(2+);2-oxido-6-oxo-1H-pyrimidine-4-carboxylate has a molecular weight of 365.12 g/mol, XLogP of -4.03, 2 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dioxo-1H-pyrimidine-6-carboxylic acid;manganese(2+);2-oxido-6-oxo-1H-pyrimidine-4-carboxylate is sourced from PubChem (CID 136705173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).