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

C14H14N2O4 — CID 82168270

IUPAC6-oxo-2-(4-propoxyphenyl)-1H-pyrimidine-5-carboxylic acid
SMILESCCCOc1ccc(-c2ncc(C(=O)O)c(=O)[nH]2)cc1
InChIInChI=1S/C14H14N2O4/c1-2-7-20-10-5-3-9(4-6-10)12-15-8-11(14(18)19)13(17)16-12/h3-6,8H,2,7H2,1H3,(H,18,19)(H,15,16,17)
InChIKeyWNAAXGYFRVCALZ-UHFFFAOYSA-N
MW274.28 g/mol
LogP1.92
Rot. Bonds5

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

6-oxo-2-(4-propoxyphenyl)-1H-pyrimidine-5-carboxylic acid (PubChem CID 82168270) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is 6-oxo-2-(4-propoxyphenyl)-1H-pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name6-oxo-2-(4-propoxyphenyl)-1H-pyrimidine-5-carboxylic acid
PubChem CID82168270
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Name6-oxo-2-(4-propoxyphenyl)-1H-pyrimidine-5-carboxylic acid
SMILESCCCOc1ccc(-c2ncc(C(=O)O)c(=O)[nH]2)cc1
InChIInChI=1S/C14H14N2O4/c1-2-7-20-10-5-3-9(4-6-10)12-15-8-11(14(18)19)13(17)16-12/h3-6,8H,2,7H2,1H3,(H,18,19)(H,15,16,17)
InChIKeyWNAAXGYFRVCALZ-UHFFFAOYSA-N
XLogP1.92
TPSA92.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-oxo-2-(4-pentylphenyl)-1H-pyrimidine-5-carboxylic acid
CID 21393239
4-hydroxy-5-methyl-2-(4-propoxyphenyl)-1H-pyrimidin-6-one
CID 46734906
2-(4-propoxyphenyl)benzoic acid
CID 62802761
N-methyl-2-(4-methylphenyl)-6-oxo-N-(2-phenoxyethyl)-1H-pyrimidine-5-carboxamide
CID 70711569
[2-(4-propoxyphenyl)-1H-imidazol-5-yl]methanamine
CID 82463581
N-(3-butoxypropyl)-2-(4-chlorophenyl)-6-oxo-1H-pyrimidine-5-carboxamide
CID 108786174
6-(4-ethoxyphenyl)-2-oxo-1H-pyrimidine-5-carboxylic acid
CID 82484338
2-[3-cyano-4-(3-methylbut-2-enoxy)phenyl]-6-oxo-1H-pyrimidine-5-carboxylic acid
CID 155531751
2-[4-[[(2S)-2-acetamidopropanoyl]amino]phenyl]-6-oxo-1H-pyrimidine-5-carboxylic acid
CID 13017924
1-ethyl-2-oxo-6-(4-propoxyphenyl)pyridine-3-carboxylic acid
CID 82517790
2-methyl-4-(4-propoxyphenyl)-1H-imidazole-5-carboxylic acid
CID 82301600
ethyl 4-(6-oxo-2-phenyl-1H-pyrimidine-5-carbonyl)piperazine-1-carboxylate
CID 92648692

Frequently Asked Questions

What is the IUPAC name of 6-oxo-2-(4-propoxyphenyl)-1H-pyrimidine-5-carboxylic acid?
The IUPAC name of 6-oxo-2-(4-propoxyphenyl)-1H-pyrimidine-5-carboxylic acid (CID 82168270) is 6-oxo-2-(4-propoxyphenyl)-1H-pyrimidine-5-carboxylic acid.
What is the SMILES notation for 6-oxo-2-(4-propoxyphenyl)-1H-pyrimidine-5-carboxylic acid?
The canonical SMILES for 6-oxo-2-(4-propoxyphenyl)-1H-pyrimidine-5-carboxylic acid is CCCOc1ccc(-c2ncc(C(=O)O)c(=O)[nH]2)cc1.
What is the InChIKey of 6-oxo-2-(4-propoxyphenyl)-1H-pyrimidine-5-carboxylic acid?
The InChIKey is WNAAXGYFRVCALZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4/c1-2-7-20-10-5-3-9(4-6-10)12-15-8-11(14(18)19)13(17)16-12/h3-6,8H,2,7H2,1H3,(H,18,19)(H,15,16,17).
What are the key properties of 6-oxo-2-(4-propoxyphenyl)-1H-pyrimidine-5-carboxylic acid?
6-oxo-2-(4-propoxyphenyl)-1H-pyrimidine-5-carboxylic acid has a molecular weight of 274.28 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-2-(4-propoxyphenyl)-1H-pyrimidine-5-carboxylic acid is sourced from PubChem (CID 82168270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).