1-[2-(2,4-dioxopyrimidin-1-yl)-2-oxoacetyl]pyrimidine-2,4-dione

C10H6N4O6 — CID 13116707

IUPAC1-[2-(2,4-dioxopyrimidin-1-yl)-2-oxoacetyl]pyrimidine-2,4-dione
SMILESO=C(C(=O)n1ccc(=O)[nH]c1=O)n1ccc(=O)[nH]c1=O
InChIInChI=1S/C10H6N4O6/c15-5-1-3-13(9(19)11-5)7(17)8(18)14-4-2-6(16)12-10(14)20/h1-4H,(H,11,15,19)(H,12,16,20)
InChIKeyAEWRYSHHMSTEAZ-UHFFFAOYSA-N
MW278.18 g/mol
LogP-2.63
Rot. Bonds

About 1-[2-(2,4-dioxopyrimidin-1-yl)-2-oxoacetyl]pyrimidine-2,4-dione

1-[2-(2,4-dioxopyrimidin-1-yl)-2-oxoacetyl]pyrimidine-2,4-dione (PubChem CID 13116707) has the molecular formula C10H6N4O6 and a molecular weight of 278.18 g/mol. Its IUPAC name is 1-[2-(2,4-dioxopyrimidin-1-yl)-2-oxoacetyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[2-(2,4-dioxopyrimidin-1-yl)-2-oxoacetyl]pyrimidine-2,4-dione
PubChem CID13116707
Molecular FormulaC10H6N4O6
Molecular Weight278.18 g/mol
Exact Mass278.03
IUPAC Name1-[2-(2,4-dioxopyrimidin-1-yl)-2-oxoacetyl]pyrimidine-2,4-dione
SMILESO=C(C(=O)n1ccc(=O)[nH]c1=O)n1ccc(=O)[nH]c1=O
InChIInChI=1S/C10H6N4O6/c15-5-1-3-13(9(19)11-5)7(17)8(18)14-4-2-6(16)12-10(14)20/h1-4H,(H,11,15,19)(H,12,16,20)
InChIKeyAEWRYSHHMSTEAZ-UHFFFAOYSA-N
XLogP-2.63
TPSA143.86 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.18
LogP ≤ 5-2.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-dioxopyrimidin-1-yl)-2-oxoacetyl]pyrimidine-2,4-dione?
The IUPAC name of 1-[2-(2,4-dioxopyrimidin-1-yl)-2-oxoacetyl]pyrimidine-2,4-dione (CID 13116707) is 1-[2-(2,4-dioxopyrimidin-1-yl)-2-oxoacetyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[2-(2,4-dioxopyrimidin-1-yl)-2-oxoacetyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[2-(2,4-dioxopyrimidin-1-yl)-2-oxoacetyl]pyrimidine-2,4-dione is O=C(C(=O)n1ccc(=O)[nH]c1=O)n1ccc(=O)[nH]c1=O.
What is the InChIKey of 1-[2-(2,4-dioxopyrimidin-1-yl)-2-oxoacetyl]pyrimidine-2,4-dione?
The InChIKey is AEWRYSHHMSTEAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N4O6/c15-5-1-3-13(9(19)11-5)7(17)8(18)14-4-2-6(16)12-10(14)20/h1-4H,(H,11,15,19)(H,12,16,20).
What are the key properties of 1-[2-(2,4-dioxopyrimidin-1-yl)-2-oxoacetyl]pyrimidine-2,4-dione?
1-[2-(2,4-dioxopyrimidin-1-yl)-2-oxoacetyl]pyrimidine-2,4-dione has a molecular weight of 278.18 g/mol, XLogP of -2.63, 0 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-dioxopyrimidin-1-yl)-2-oxoacetyl]pyrimidine-2,4-dione is sourced from PubChem (CID 13116707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).