2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylic acid

C5H6N2O3 — CID 91550656

IUPAC2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylic acid
SMILESO=C1N=CC(C(=O)O)CN1
InChIInChI=1S/C5H6N2O3/c8-4(9)3-1-6-5(10)7-2-3/h1,3H,2H2,(H,7,10)(H,8,9)
InChIKeyMDTFLCSHVSEEKK-UHFFFAOYSA-N
MW142.11 g/mol
LogP-0.52
Rot. Bonds1

About 2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylic acid

2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylic acid (PubChem CID 91550656) has the molecular formula C5H6N2O3 and a molecular weight of 142.11 g/mol. Its IUPAC name is 2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylic acid
PubChem CID91550656
Molecular FormulaC5H6N2O3
Molecular Weight142.11 g/mol
Exact Mass142.04
IUPAC Name2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylic acid
SMILESO=C1N=CC(C(=O)O)CN1
InChIInChI=1S/C5H6N2O3/c8-4(9)3-1-6-5(10)7-2-3/h1,3H,2H2,(H,7,10)(H,8,9)
InChIKeyMDTFLCSHVSEEKK-UHFFFAOYSA-N
XLogP-0.52
TPSA78.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.11
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylic acid?
The IUPAC name of 2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylic acid (CID 91550656) is 2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylic acid?
The canonical SMILES for 2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylic acid is O=C1N=CC(C(=O)O)CN1.
What is the InChIKey of 2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylic acid?
The InChIKey is MDTFLCSHVSEEKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O3/c8-4(9)3-1-6-5(10)7-2-3/h1,3H,2H2,(H,7,10)(H,8,9).
What are the key properties of 2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylic acid?
2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylic acid has a molecular weight of 142.11 g/mol, XLogP of -0.52, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylic acid is sourced from PubChem (CID 91550656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).