2-(1-ethoxyethyl)-6-oxo-1H-pyrimidine-5-carboxylic acid

C9H12N2O4 — CID 64533216

IUPAC2-(1-ethoxyethyl)-6-oxo-1H-pyrimidine-5-carboxylic acid
SMILESCCOC(C)c1ncc(C(=O)O)c(=O)[nH]1
InChIInChI=1S/C9H12N2O4/c1-3-15-5(2)7-10-4-6(9(13)14)8(12)11-7/h4-5H,3H2,1-2H3,(H,13,14)(H,10,11,12)
InChIKeyMQWFJHWQEXKTEX-UHFFFAOYSA-N
MW212.20 g/mol
LogP0.57
Rot. Bonds4

About 2-(1-ethoxyethyl)-6-oxo-1H-pyrimidine-5-carboxylic acid

2-(1-ethoxyethyl)-6-oxo-1H-pyrimidine-5-carboxylic acid (PubChem CID 64533216) has the molecular formula C9H12N2O4 and a molecular weight of 212.20 g/mol. Its IUPAC name is 2-(1-ethoxyethyl)-6-oxo-1H-pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-(1-ethoxyethyl)-6-oxo-1H-pyrimidine-5-carboxylic acid
PubChem CID64533216
Molecular FormulaC9H12N2O4
Molecular Weight212.20 g/mol
Exact Mass212.08
IUPAC Name2-(1-ethoxyethyl)-6-oxo-1H-pyrimidine-5-carboxylic acid
SMILESCCOC(C)c1ncc(C(=O)O)c(=O)[nH]1
InChIInChI=1S/C9H12N2O4/c1-3-15-5(2)7-10-4-6(9(13)14)8(12)11-7/h4-5H,3H2,1-2H3,(H,13,14)(H,10,11,12)
InChIKeyMQWFJHWQEXKTEX-UHFFFAOYSA-N
XLogP0.57
TPSA92.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxyethyl)-6-oxo-1H-pyrimidine-5-carboxylic acid?
The IUPAC name of 2-(1-ethoxyethyl)-6-oxo-1H-pyrimidine-5-carboxylic acid (CID 64533216) is 2-(1-ethoxyethyl)-6-oxo-1H-pyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-(1-ethoxyethyl)-6-oxo-1H-pyrimidine-5-carboxylic acid?
The canonical SMILES for 2-(1-ethoxyethyl)-6-oxo-1H-pyrimidine-5-carboxylic acid is CCOC(C)c1ncc(C(=O)O)c(=O)[nH]1.
What is the InChIKey of 2-(1-ethoxyethyl)-6-oxo-1H-pyrimidine-5-carboxylic acid?
The InChIKey is MQWFJHWQEXKTEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O4/c1-3-15-5(2)7-10-4-6(9(13)14)8(12)11-7/h4-5H,3H2,1-2H3,(H,13,14)(H,10,11,12).
What are the key properties of 2-(1-ethoxyethyl)-6-oxo-1H-pyrimidine-5-carboxylic acid?
2-(1-ethoxyethyl)-6-oxo-1H-pyrimidine-5-carboxylic acid has a molecular weight of 212.20 g/mol, XLogP of 0.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxyethyl)-6-oxo-1H-pyrimidine-5-carboxylic acid is sourced from PubChem (CID 64533216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).