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

C10H8N4O8 — CID 66684517

IUPAC2,4-dioxo-1H-pyrimidine-6-carboxylic acid
SMILESO=C(O)c1cc(=O)[nH]c(=O)[nH]1.O=C(O)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/2C5H4N2O4/c2*8-3-1-2(4(9)10)6-5(11)7-3/h2*1H,(H,9,10)(H2,6,7,8,11)
InChIKeyHTXAWQWIIRILGC-UHFFFAOYSA-N
MW312.19 g/mol
LogP-2.48
Rot. Bonds2

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

2,4-dioxo-1H-pyrimidine-6-carboxylic acid (PubChem CID 66684517) has the molecular formula C10H8N4O8 and a molecular weight of 312.19 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 CID66684517
Molecular FormulaC10H8N4O8
Molecular Weight312.19 g/mol
Exact Mass312.03
IUPAC Name2,4-dioxo-1H-pyrimidine-6-carboxylic acid
SMILESO=C(O)c1cc(=O)[nH]c(=O)[nH]1.O=C(O)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/2C5H4N2O4/c2*8-3-1-2(4(9)10)6-5(11)7-3/h2*1H,(H,9,10)(H2,6,7,8,11)
InChIKeyHTXAWQWIIRILGC-UHFFFAOYSA-N
XLogP-2.48
TPSA206.04 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.19
LogP ≤ 5-2.48
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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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 66684517) 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.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 HTXAWQWIIRILGC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H4N2O4/c2*8-3-1-2(4(9)10)6-5(11)7-3/h2*1H,(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 312.19 g/mol, XLogP of -2.48, 2 rotatable bonds, 6 hydrogen bond donors, and 6 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 66684517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).