3-methyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylic acid

C12H12N2O3 — CID 13258434

IUPAC3-methyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylic acid
SMILESCN1C=C(C(=O)O)C(c2ccccc2)NC1=O
InChIInChI=1S/C12H12N2O3/c1-14-7-9(11(15)16)10(13-12(14)17)8-5-3-2-4-6-8/h2-7,10H,1H3,(H,13,17)(H,15,16)
InChIKeyNEIFWUZOSSDTIR-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.35
Rot. Bonds2

About 3-methyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylic acid

3-methyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylic acid (PubChem CID 13258434) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is 3-methyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name3-methyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylic acid
PubChem CID13258434
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Name3-methyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylic acid
SMILESCN1C=C(C(=O)O)C(c2ccccc2)NC1=O
InChIInChI=1S/C12H12N2O3/c1-14-7-9(11(15)16)10(13-12(14)17)8-5-3-2-4-6-8/h2-7,10H,1H3,(H,13,17)(H,15,16)
InChIKeyNEIFWUZOSSDTIR-UHFFFAOYSA-N
XLogP1.35
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylic acid?
The IUPAC name of 3-methyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylic acid (CID 13258434) is 3-methyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylic acid.
What is the SMILES notation for 3-methyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylic acid?
The canonical SMILES for 3-methyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylic acid is CN1C=C(C(=O)O)C(c2ccccc2)NC1=O.
What is the InChIKey of 3-methyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylic acid?
The InChIKey is NEIFWUZOSSDTIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c1-14-7-9(11(15)16)10(13-12(14)17)8-5-3-2-4-6-8/h2-7,10H,1H3,(H,13,17)(H,15,16).
What are the key properties of 3-methyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylic acid?
3-methyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylic acid has a molecular weight of 232.24 g/mol, XLogP of 1.35, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylic acid is sourced from PubChem (CID 13258434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).