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

C5H4N2O4 — CID 967

💊View drug profile → orotic acid
IUPAC2,4-dioxo-1H-pyrimidine-6-carboxylic acid
SMILESO=C(O)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C5H4N2O4/c8-3-1-2(4(9)10)6-5(11)7-3/h1H,(H,9,10)(H2,6,7,8,11)
InChIKeyPXQPEWDEAKTCGB-UHFFFAOYSA-N
MW156.10 g/mol
LogP-1.24
Rot. Bonds1

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

2,4-dioxo-1H-pyrimidine-6-carboxylic acid (PubChem CID 967) has the molecular formula C5H4N2O4 and a molecular weight of 156.10 g/mol. Its IUPAC name is 2,4-dioxo-1H-pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name2,4-dioxo-1H-pyrimidine-6-carboxylic acid
PubChem CID967
Molecular FormulaC5H4N2O4
Molecular Weight156.10 g/mol
Exact Mass156.02
IUPAC Name2,4-dioxo-1H-pyrimidine-6-carboxylic acid
SMILESO=C(O)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C5H4N2O4/c8-3-1-2(4(9)10)6-5(11)7-3/h1H,(H,9,10)(H2,6,7,8,11)
InChIKeyPXQPEWDEAKTCGB-UHFFFAOYSA-N
XLogP-1.24
TPSA103.02 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.10
LogP ≤ 5-1.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-Pyrimidinecarboxylic acid, 1,2,3,6-tetrahydro-2,6-dioxo-, ion(1-)
CID 1492348
5-Amino-1,2,3,6-tetrahydro-2,6-dioxo-4-pyrimidinecarboxylic acid
CID 73018
4-Pyrimidinecarboxylic acid, 1,2,3,6-tetrahydro-2,6-dioxo-, hydrate (1:1)
CID 16218504
Magnesium Orotate
CID 3036905
Methyl 1,2,3,6-tetrahydro-2,6-dioxo-4-pyrimidinecarboxylate
CID 80257
Potassium Orotate
CID 23665705
Sodium Orotate
CID 23683036
Zinc Orotate
CID 108934
Lithium orotate
CID 23686432
Zinc orotate dihydrate
CID 46942247
4-Pyrimidinecarboxylic acid, 1,2,3,6-tetrahydro-6-oxo-2-thioxo-
CID 2724199
5-Fluoroorotic acid monohydrate
CID 16212749

Frequently Asked Questions

What is the IUPAC name of 2,4-dioxo-1H-pyrimidine-6-carboxylic acid?
The IUPAC name of 2,4-dioxo-1H-pyrimidine-6-carboxylic acid (CID 967) is 2,4-dioxo-1H-pyrimidine-6-carboxylic acid.
What is the SMILES notation for 2,4-dioxo-1H-pyrimidine-6-carboxylic acid?
The canonical SMILES for 2,4-dioxo-1H-pyrimidine-6-carboxylic acid is O=C(O)c1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of 2,4-dioxo-1H-pyrimidine-6-carboxylic acid?
The InChIKey is PXQPEWDEAKTCGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N2O4/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?
2,4-dioxo-1H-pyrimidine-6-carboxylic acid has a molecular weight of 156.10 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 is sourced from PubChem (CID 967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).