4-hydroxy-6-oxo-1H-pyrimidine-2-carboxylate

C5H3N2O4- — CID 82017768

IUPAC4-hydroxy-6-oxo-1H-pyrimidine-2-carboxylate
SMILESO=C([O-])c1nc(O)cc(=O)[nH]1
InChIInChI=1S/C5H4N2O4/c8-2-1-3(9)7-4(6-2)5(10)11/h1H,(H,10,11)(H2,6,7,8,9)/p-1
InChIKeyTYCRGCVWEVPXJQ-UHFFFAOYSA-M
MW155.09 g/mol
LogP-2.16
Rot. Bonds1

About 4-hydroxy-6-oxo-1H-pyrimidine-2-carboxylate

4-hydroxy-6-oxo-1H-pyrimidine-2-carboxylate (PubChem CID 82017768) has the molecular formula C5H3N2O4- and a molecular weight of 155.09 g/mol. Its IUPAC name is 4-hydroxy-6-oxo-1H-pyrimidine-2-carboxylate.

Molecular Properties

Compound Name4-hydroxy-6-oxo-1H-pyrimidine-2-carboxylate
PubChem CID82017768
Molecular FormulaC5H3N2O4-
Molecular Weight155.09 g/mol
Exact Mass155.01
IUPAC Name4-hydroxy-6-oxo-1H-pyrimidine-2-carboxylate
SMILESO=C([O-])c1nc(O)cc(=O)[nH]1
InChIInChI=1S/C5H4N2O4/c8-2-1-3(9)7-4(6-2)5(10)11/h1H,(H,10,11)(H2,6,7,8,9)/p-1
InChIKeyTYCRGCVWEVPXJQ-UHFFFAOYSA-M
XLogP-2.16
TPSA106.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.09
LogP ≤ 5-2.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-6-oxo-1H-pyrimidine-2-carboxylate?
The IUPAC name of 4-hydroxy-6-oxo-1H-pyrimidine-2-carboxylate (CID 82017768) is 4-hydroxy-6-oxo-1H-pyrimidine-2-carboxylate.
What is the SMILES notation for 4-hydroxy-6-oxo-1H-pyrimidine-2-carboxylate?
The canonical SMILES for 4-hydroxy-6-oxo-1H-pyrimidine-2-carboxylate is O=C([O-])c1nc(O)cc(=O)[nH]1.
What is the InChIKey of 4-hydroxy-6-oxo-1H-pyrimidine-2-carboxylate?
The InChIKey is TYCRGCVWEVPXJQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H4N2O4/c8-2-1-3(9)7-4(6-2)5(10)11/h1H,(H,10,11)(H2,6,7,8,9)/p-1.
What are the key properties of 4-hydroxy-6-oxo-1H-pyrimidine-2-carboxylate?
4-hydroxy-6-oxo-1H-pyrimidine-2-carboxylate has a molecular weight of 155.09 g/mol, XLogP of -2.16, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-6-oxo-1H-pyrimidine-2-carboxylate is sourced from PubChem (CID 82017768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).