2,4-dioxo-1H-pyrimidine-5-carboxylate

C5H3N2O4- — CID 6971263

IUPAC2,4-dioxo-1H-pyrimidine-5-carboxylate
SMILESO=C([O-])c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C5H4N2O4/c8-3-2(4(9)10)1-6-5(11)7-3/h1H,(H,9,10)(H2,6,7,8,11)/p-1
InChIKeyZXYAAVBXHKCJJB-UHFFFAOYSA-M
MW155.09 g/mol
LogP-2.57
Rot. Bonds1

About 2,4-dioxo-1H-pyrimidine-5-carboxylate

2,4-dioxo-1H-pyrimidine-5-carboxylate (PubChem CID 6971263) has the molecular formula C5H3N2O4- and a molecular weight of 155.09 g/mol. Its IUPAC name is 2,4-dioxo-1H-pyrimidine-5-carboxylate.

Molecular Properties

Compound Name2,4-dioxo-1H-pyrimidine-5-carboxylate
PubChem CID6971263
Molecular FormulaC5H3N2O4-
Molecular Weight155.09 g/mol
Exact Mass155.01
IUPAC Name2,4-dioxo-1H-pyrimidine-5-carboxylate
SMILESO=C([O-])c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C5H4N2O4/c8-3-2(4(9)10)1-6-5(11)7-3/h1H,(H,9,10)(H2,6,7,8,11)/p-1
InChIKeyZXYAAVBXHKCJJB-UHFFFAOYSA-M
XLogP-2.57
TPSA105.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.09
LogP ≤ 5-2.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-dioxo-1H-pyrimidine-5-carboxylate?
The IUPAC name of 2,4-dioxo-1H-pyrimidine-5-carboxylate (CID 6971263) is 2,4-dioxo-1H-pyrimidine-5-carboxylate.
What is the SMILES notation for 2,4-dioxo-1H-pyrimidine-5-carboxylate?
The canonical SMILES for 2,4-dioxo-1H-pyrimidine-5-carboxylate is O=C([O-])c1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of 2,4-dioxo-1H-pyrimidine-5-carboxylate?
The InChIKey is ZXYAAVBXHKCJJB-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H4N2O4/c8-3-2(4(9)10)1-6-5(11)7-3/h1H,(H,9,10)(H2,6,7,8,11)/p-1.
What are the key properties of 2,4-dioxo-1H-pyrimidine-5-carboxylate?
2,4-dioxo-1H-pyrimidine-5-carboxylate has a molecular weight of 155.09 g/mol, XLogP of -2.57, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dioxo-1H-pyrimidine-5-carboxylate is sourced from PubChem (CID 6971263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).