2-(4-fluoro-2-methylphenyl)-4-methyl-6-oxo-1H-pyrimidine-5-carboxylic acid

C13H11FN2O3 — CID 136873120

IUPAC2-(4-fluoro-2-methylphenyl)-4-methyl-6-oxo-1H-pyrimidine-5-carboxylic acid
SMILESCc1cc(F)ccc1-c1nc(C)c(C(=O)O)c(=O)[nH]1
InChIInChI=1S/C13H11FN2O3/c1-6-5-8(14)3-4-9(6)11-15-7(2)10(13(18)19)12(17)16-11/h3-5H,1-2H3,(H,18,19)(H,15,16,17)
InChIKeyZDSRSVUFYLSHEX-UHFFFAOYSA-N
MW262.24 g/mol
LogP1.89
Rot. Bonds2

About 2-(4-fluoro-2-methylphenyl)-4-methyl-6-oxo-1H-pyrimidine-5-carboxylic acid

2-(4-fluoro-2-methylphenyl)-4-methyl-6-oxo-1H-pyrimidine-5-carboxylic acid (PubChem CID 136873120) has the molecular formula C13H11FN2O3 and a molecular weight of 262.24 g/mol. Its IUPAC name is 2-(4-fluoro-2-methylphenyl)-4-methyl-6-oxo-1H-pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-(4-fluoro-2-methylphenyl)-4-methyl-6-oxo-1H-pyrimidine-5-carboxylic acid
PubChem CID136873120
Molecular FormulaC13H11FN2O3
Molecular Weight262.24 g/mol
Exact Mass262.08
IUPAC Name2-(4-fluoro-2-methylphenyl)-4-methyl-6-oxo-1H-pyrimidine-5-carboxylic acid
SMILESCc1cc(F)ccc1-c1nc(C)c(C(=O)O)c(=O)[nH]1
InChIInChI=1S/C13H11FN2O3/c1-6-5-8(14)3-4-9(6)11-15-7(2)10(13(18)19)12(17)16-11/h3-5H,1-2H3,(H,18,19)(H,15,16,17)
InChIKeyZDSRSVUFYLSHEX-UHFFFAOYSA-N
XLogP1.89
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.24
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-2-methylphenyl)-4-methyl-6-oxo-1H-pyrimidine-5-carboxylic acid?
The IUPAC name of 2-(4-fluoro-2-methylphenyl)-4-methyl-6-oxo-1H-pyrimidine-5-carboxylic acid (CID 136873120) is 2-(4-fluoro-2-methylphenyl)-4-methyl-6-oxo-1H-pyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-(4-fluoro-2-methylphenyl)-4-methyl-6-oxo-1H-pyrimidine-5-carboxylic acid?
The canonical SMILES for 2-(4-fluoro-2-methylphenyl)-4-methyl-6-oxo-1H-pyrimidine-5-carboxylic acid is Cc1cc(F)ccc1-c1nc(C)c(C(=O)O)c(=O)[nH]1.
What is the InChIKey of 2-(4-fluoro-2-methylphenyl)-4-methyl-6-oxo-1H-pyrimidine-5-carboxylic acid?
The InChIKey is ZDSRSVUFYLSHEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O3/c1-6-5-8(14)3-4-9(6)11-15-7(2)10(13(18)19)12(17)16-11/h3-5H,1-2H3,(H,18,19)(H,15,16,17).
What are the key properties of 2-(4-fluoro-2-methylphenyl)-4-methyl-6-oxo-1H-pyrimidine-5-carboxylic acid?
2-(4-fluoro-2-methylphenyl)-4-methyl-6-oxo-1H-pyrimidine-5-carboxylic acid has a molecular weight of 262.24 g/mol, XLogP of 1.89, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-2-methylphenyl)-4-methyl-6-oxo-1H-pyrimidine-5-carboxylic acid is sourced from PubChem (CID 136873120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).