2,4-dioxopyrimidine-1-carboxylic acid

C5H4N2O4 — CID 21453665

IUPAC2,4-dioxopyrimidine-1-carboxylic acid
SMILESO=C(O)n1ccc(=O)[nH]c1=O
InChIInChI=1S/C5H4N2O4/c8-3-1-2-7(5(10)11)4(9)6-3/h1-2H,(H,10,11)(H,6,8,9)
InChIKeyLBGYQHRPSDMLSB-UHFFFAOYSA-N
MW156.10 g/mol
LogP-0.94
Rot. Bonds

About 2,4-dioxopyrimidine-1-carboxylic acid

2,4-dioxopyrimidine-1-carboxylic acid (PubChem CID 21453665) has the molecular formula C5H4N2O4 and a molecular weight of 156.10 g/mol. Its IUPAC name is 2,4-dioxopyrimidine-1-carboxylic acid.

Molecular Properties

Compound Name2,4-dioxopyrimidine-1-carboxylic acid
PubChem CID21453665
Molecular FormulaC5H4N2O4
Molecular Weight156.10 g/mol
Exact Mass156.02
IUPAC Name2,4-dioxopyrimidine-1-carboxylic acid
SMILESO=C(O)n1ccc(=O)[nH]c1=O
InChIInChI=1S/C5H4N2O4/c8-3-1-2-7(5(10)11)4(9)6-3/h1-2H,(H,10,11)(H,6,8,9)
InChIKeyLBGYQHRPSDMLSB-UHFFFAOYSA-N
XLogP-0.94
TPSA92.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.10
LogP ≤ 5-0.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Uracil
CID 1174
3-Methyluracil
CID 79066
1-Methyluracil
CID 12009
1-Ethyluracil
CID 4183135
2-(2,4-Dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)acetic acid
CID 255733
Willardiine
CID 161358
1-(Prop-2-yn-1-yl)pyrimidine-2,4(1h,3h)-dione
CID 489883
2-(2,6-Dioxo-1,2,3,6-tetrahydropyrimidin-1-yl)acetic acid
CID 2512745
1-(2-Hydroxyethyl)pyrimidine-2,4(1H,3H)-dione
CID 11030057
Uracil C-13, 2-
CID 10171240
1-(2-Carboxyethyl)uracil
CID 96419
1-N-Acetyluracil
CID 319990

Frequently Asked Questions

What is the IUPAC name of 2,4-dioxopyrimidine-1-carboxylic acid?
The IUPAC name of 2,4-dioxopyrimidine-1-carboxylic acid (CID 21453665) is 2,4-dioxopyrimidine-1-carboxylic acid.
What is the SMILES notation for 2,4-dioxopyrimidine-1-carboxylic acid?
The canonical SMILES for 2,4-dioxopyrimidine-1-carboxylic acid is O=C(O)n1ccc(=O)[nH]c1=O.
What is the InChIKey of 2,4-dioxopyrimidine-1-carboxylic acid?
The InChIKey is LBGYQHRPSDMLSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N2O4/c8-3-1-2-7(5(10)11)4(9)6-3/h1-2H,(H,10,11)(H,6,8,9).
What are the key properties of 2,4-dioxopyrimidine-1-carboxylic acid?
2,4-dioxopyrimidine-1-carboxylic acid has a molecular weight of 156.10 g/mol, XLogP of -0.94, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dioxopyrimidine-1-carboxylic acid is sourced from PubChem (CID 21453665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).