2,4-dioxo-1-phenylpyrimidine-5-carboxylic acid

C11H8N2O4 — CID 71299801

IUPAC2,4-dioxo-1-phenylpyrimidine-5-carboxylic acid
SMILESO=C(O)c1cn(-c2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C11H8N2O4/c14-9-8(10(15)16)6-13(11(17)12-9)7-4-2-1-3-5-7/h1-6H,(H,15,16)(H,12,14,17)
InChIKeyAYQZVCGEIWPVCK-UHFFFAOYSA-N
MW232.20 g/mol
LogP0.22
Rot. Bonds2

About 2,4-dioxo-1-phenylpyrimidine-5-carboxylic acid

2,4-dioxo-1-phenylpyrimidine-5-carboxylic acid (PubChem CID 71299801) has the molecular formula C11H8N2O4 and a molecular weight of 232.20 g/mol. Its IUPAC name is 2,4-dioxo-1-phenylpyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2,4-dioxo-1-phenylpyrimidine-5-carboxylic acid
PubChem CID71299801
Molecular FormulaC11H8N2O4
Molecular Weight232.20 g/mol
Exact Mass232.05
IUPAC Name2,4-dioxo-1-phenylpyrimidine-5-carboxylic acid
SMILESO=C(O)c1cn(-c2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C11H8N2O4/c14-9-8(10(15)16)6-13(11(17)12-9)7-4-2-1-3-5-7/h1-6H,(H,15,16)(H,12,14,17)
InChIKeyAYQZVCGEIWPVCK-UHFFFAOYSA-N
XLogP0.22
TPSA92.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.20
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-dioxo-1-phenylpyrimidine-5-carboxylic acid?
The IUPAC name of 2,4-dioxo-1-phenylpyrimidine-5-carboxylic acid (CID 71299801) is 2,4-dioxo-1-phenylpyrimidine-5-carboxylic acid.
What is the SMILES notation for 2,4-dioxo-1-phenylpyrimidine-5-carboxylic acid?
The canonical SMILES for 2,4-dioxo-1-phenylpyrimidine-5-carboxylic acid is O=C(O)c1cn(-c2ccccc2)c(=O)[nH]c1=O.
What is the InChIKey of 2,4-dioxo-1-phenylpyrimidine-5-carboxylic acid?
The InChIKey is AYQZVCGEIWPVCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O4/c14-9-8(10(15)16)6-13(11(17)12-9)7-4-2-1-3-5-7/h1-6H,(H,15,16)(H,12,14,17).
What are the key properties of 2,4-dioxo-1-phenylpyrimidine-5-carboxylic acid?
2,4-dioxo-1-phenylpyrimidine-5-carboxylic acid has a molecular weight of 232.20 g/mol, XLogP of 0.22, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dioxo-1-phenylpyrimidine-5-carboxylic acid is sourced from PubChem (CID 71299801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).