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

C5H4MnN2O4 — CID 67186299

IUPAC2,4-dioxo-1H-pyrimidine-6-carboxylic acid;manganese
SMILESO=C(O)c1cc(=O)[nH]c(=O)[nH]1.[Mn]
InChIInChI=1S/C5H4N2O4.Mn/c8-3-1-2(4(9)10)6-5(11)7-3;/h1H,(H,9,10)(H2,6,7,8,11);
InChIKeyBIJDIILIPHXHSM-UHFFFAOYSA-N
MW211.03 g/mol
LogP-1.24
Rot. Bonds1

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

2,4-dioxo-1H-pyrimidine-6-carboxylic acid;manganese (PubChem CID 67186299) has the molecular formula C5H4MnN2O4 and a molecular weight of 211.03 g/mol. Its IUPAC name is 2,4-dioxo-1H-pyrimidine-6-carboxylic acid;manganese.

Molecular Properties

Compound Name2,4-dioxo-1H-pyrimidine-6-carboxylic acid;manganese
PubChem CID67186299
Molecular FormulaC5H4MnN2O4
Molecular Weight211.03 g/mol
Exact Mass210.96
IUPAC Name2,4-dioxo-1H-pyrimidine-6-carboxylic acid;manganese
SMILESO=C(O)c1cc(=O)[nH]c(=O)[nH]1.[Mn]
InChIInChI=1S/C5H4N2O4.Mn/c8-3-1-2(4(9)10)6-5(11)7-3;/h1H,(H,9,10)(H2,6,7,8,11);
InChIKeyBIJDIILIPHXHSM-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 ≤ 500211.03
LogP ≤ 5-1.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-dioxo-1H-pyrimidine-6-carboxylic acid;manganese?
The IUPAC name of 2,4-dioxo-1H-pyrimidine-6-carboxylic acid;manganese (CID 67186299) is 2,4-dioxo-1H-pyrimidine-6-carboxylic acid;manganese.
What is the SMILES notation for 2,4-dioxo-1H-pyrimidine-6-carboxylic acid;manganese?
The canonical SMILES for 2,4-dioxo-1H-pyrimidine-6-carboxylic acid;manganese is O=C(O)c1cc(=O)[nH]c(=O)[nH]1.[Mn].
What is the InChIKey of 2,4-dioxo-1H-pyrimidine-6-carboxylic acid;manganese?
The InChIKey is BIJDIILIPHXHSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N2O4.Mn/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;manganese?
2,4-dioxo-1H-pyrimidine-6-carboxylic acid;manganese has a molecular weight of 211.03 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;manganese is sourced from PubChem (CID 67186299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).