6-(4-ethoxyphenyl)-2-oxo-1H-pyrimidine-5-carboxylic acid

C13H12N2O4 — CID 82484338

IUPAC6-(4-ethoxyphenyl)-2-oxo-1H-pyrimidine-5-carboxylic acid
SMILESCCOc1ccc(-c2[nH]c(=O)ncc2C(=O)O)cc1
InChIInChI=1S/C13H12N2O4/c1-2-19-9-5-3-8(4-6-9)11-10(12(16)17)7-14-13(18)15-11/h3-7H,2H2,1H3,(H,16,17)(H,14,15,18)
InChIKeyPGAQZAPVPWWCSB-UHFFFAOYSA-N
MW260.25 g/mol
LogP1.53
Rot. Bonds4

About 6-(4-ethoxyphenyl)-2-oxo-1H-pyrimidine-5-carboxylic acid

6-(4-ethoxyphenyl)-2-oxo-1H-pyrimidine-5-carboxylic acid (PubChem CID 82484338) has the molecular formula C13H12N2O4 and a molecular weight of 260.25 g/mol. Its IUPAC name is 6-(4-ethoxyphenyl)-2-oxo-1H-pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name6-(4-ethoxyphenyl)-2-oxo-1H-pyrimidine-5-carboxylic acid
PubChem CID82484338
Molecular FormulaC13H12N2O4
Molecular Weight260.25 g/mol
Exact Mass260.08
IUPAC Name6-(4-ethoxyphenyl)-2-oxo-1H-pyrimidine-5-carboxylic acid
SMILESCCOc1ccc(-c2[nH]c(=O)ncc2C(=O)O)cc1
InChIInChI=1S/C13H12N2O4/c1-2-19-9-5-3-8(4-6-9)11-10(12(16)17)7-14-13(18)15-11/h3-7H,2H2,1H3,(H,16,17)(H,14,15,18)
InChIKeyPGAQZAPVPWWCSB-UHFFFAOYSA-N
XLogP1.53
TPSA92.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-ethoxyphenyl)-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid
CID 82124021
6-(3-methoxyphenyl)-2-oxo-1H-pyrimidine-5-carboxylic acid
CID 82384684
6-(4-ethoxyphenyl)-2-sulfanylidene-1H-pyridine-3-carboxylic acid
CID 94283856
2-(4-ethoxyphenyl)-4-(propan-2-ylamino)pyrimidine-5-carboxylic acid
CID 53215012
2-(4-ethoxyphenyl)-4-(propylamino)pyrimidine-5-carboxylic acid
CID 82169174
6-oxo-2-(4-propoxyphenyl)-1H-pyrimidine-5-carboxylic acid
CID 82168270
3-amino-5-(4-ethoxyphenyl)-1H-pyrazole-4-carboxylic acid
CID 82479753
2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]benzoic acid
CID 100503714
2-(4-ethoxyphenyl)-1H-benzimidazole-4-carboxylic acid
CID 63030910
4-amino-2-(4-ethoxyphenyl)benzoic acid
CID 82299863
4-chloro-2-(4-ethoxyphenyl)benzoic acid
CID 107989630
4-[(4-ethoxyphenoxy)methyl]pyrimidine-5-carboxylic acid
CID 102973475

Frequently Asked Questions

What is the IUPAC name of 6-(4-ethoxyphenyl)-2-oxo-1H-pyrimidine-5-carboxylic acid?
The IUPAC name of 6-(4-ethoxyphenyl)-2-oxo-1H-pyrimidine-5-carboxylic acid (CID 82484338) is 6-(4-ethoxyphenyl)-2-oxo-1H-pyrimidine-5-carboxylic acid.
What is the SMILES notation for 6-(4-ethoxyphenyl)-2-oxo-1H-pyrimidine-5-carboxylic acid?
The canonical SMILES for 6-(4-ethoxyphenyl)-2-oxo-1H-pyrimidine-5-carboxylic acid is CCOc1ccc(-c2[nH]c(=O)ncc2C(=O)O)cc1.
What is the InChIKey of 6-(4-ethoxyphenyl)-2-oxo-1H-pyrimidine-5-carboxylic acid?
The InChIKey is PGAQZAPVPWWCSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O4/c1-2-19-9-5-3-8(4-6-9)11-10(12(16)17)7-14-13(18)15-11/h3-7H,2H2,1H3,(H,16,17)(H,14,15,18).
What are the key properties of 6-(4-ethoxyphenyl)-2-oxo-1H-pyrimidine-5-carboxylic acid?
6-(4-ethoxyphenyl)-2-oxo-1H-pyrimidine-5-carboxylic acid has a molecular weight of 260.25 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethoxyphenyl)-2-oxo-1H-pyrimidine-5-carboxylic acid is sourced from PubChem (CID 82484338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).