5-hydroxy-2-methyl-6-oxo-1-[2-(4-phenylphenyl)ethyl]pyrimidine-4-carboxylic acid

C20H18N2O4 — CID 129147473

IUPAC5-hydroxy-2-methyl-6-oxo-1-[2-(4-phenylphenyl)ethyl]pyrimidine-4-carboxylic acid
SMILESCc1nc(C(=O)O)c(O)c(=O)n1CCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H18N2O4/c1-13-21-17(20(25)26)18(23)19(24)22(13)12-11-14-7-9-16(10-8-14)15-5-3-2-4-6-15/h2-10,23H,11-12H2,1H3,(H,25,26)
InChIKeySTEIMIUCQIOTJF-UHFFFAOYSA-N
MW350.37 g/mol
LogP2.87
Rot. Bonds5

About 5-hydroxy-2-methyl-6-oxo-1-[2-(4-phenylphenyl)ethyl]pyrimidine-4-carboxylic acid

5-hydroxy-2-methyl-6-oxo-1-[2-(4-phenylphenyl)ethyl]pyrimidine-4-carboxylic acid (PubChem CID 129147473) has the molecular formula C20H18N2O4 and a molecular weight of 350.37 g/mol. Its IUPAC name is 5-hydroxy-2-methyl-6-oxo-1-[2-(4-phenylphenyl)ethyl]pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name5-hydroxy-2-methyl-6-oxo-1-[2-(4-phenylphenyl)ethyl]pyrimidine-4-carboxylic acid
PubChem CID129147473
Molecular FormulaC20H18N2O4
Molecular Weight350.37 g/mol
Exact Mass350.13
IUPAC Name5-hydroxy-2-methyl-6-oxo-1-[2-(4-phenylphenyl)ethyl]pyrimidine-4-carboxylic acid
SMILESCc1nc(C(=O)O)c(O)c(=O)n1CCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H18N2O4/c1-13-21-17(20(25)26)18(23)19(24)22(13)12-11-14-7-9-16(10-8-14)15-5-3-2-4-6-15/h2-10,23H,11-12H2,1H3,(H,25,26)
InChIKeySTEIMIUCQIOTJF-UHFFFAOYSA-N
XLogP2.87
TPSA92.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-methyl-6-oxo-1-[2-(4-phenylphenyl)ethyl]pyrimidine-4-carboxylic acid?
The IUPAC name of 5-hydroxy-2-methyl-6-oxo-1-[2-(4-phenylphenyl)ethyl]pyrimidine-4-carboxylic acid (CID 129147473) is 5-hydroxy-2-methyl-6-oxo-1-[2-(4-phenylphenyl)ethyl]pyrimidine-4-carboxylic acid.
What is the SMILES notation for 5-hydroxy-2-methyl-6-oxo-1-[2-(4-phenylphenyl)ethyl]pyrimidine-4-carboxylic acid?
The canonical SMILES for 5-hydroxy-2-methyl-6-oxo-1-[2-(4-phenylphenyl)ethyl]pyrimidine-4-carboxylic acid is Cc1nc(C(=O)O)c(O)c(=O)n1CCc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 5-hydroxy-2-methyl-6-oxo-1-[2-(4-phenylphenyl)ethyl]pyrimidine-4-carboxylic acid?
The InChIKey is STEIMIUCQIOTJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O4/c1-13-21-17(20(25)26)18(23)19(24)22(13)12-11-14-7-9-16(10-8-14)15-5-3-2-4-6-15/h2-10,23H,11-12H2,1H3,(H,25,26).
What are the key properties of 5-hydroxy-2-methyl-6-oxo-1-[2-(4-phenylphenyl)ethyl]pyrimidine-4-carboxylic acid?
5-hydroxy-2-methyl-6-oxo-1-[2-(4-phenylphenyl)ethyl]pyrimidine-4-carboxylic acid has a molecular weight of 350.37 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-methyl-6-oxo-1-[2-(4-phenylphenyl)ethyl]pyrimidine-4-carboxylic acid is sourced from PubChem (CID 129147473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).