ethyl 6-methyl-2-(4-methylphenyl)-3-oxo-2,4-dihydro-1H-pyrazine-5-carboxylate

C15H18N2O3 — CID 23932086

IUPACethyl 6-methyl-2-(4-methylphenyl)-3-oxo-2,4-dihydro-1H-pyrazine-5-carboxylate
SMILESCCOC(=O)C1=C(C)NC(c2ccc(C)cc2)C(=O)N1
InChIInChI=1S/C15H18N2O3/c1-4-20-15(19)12-10(3)16-13(14(18)17-12)11-7-5-9(2)6-8-11/h5-8,13,16H,4H2,1-3H3,(H,17,18)
InChIKeyAEZIKERHJKONHQ-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.55
Rot. Bonds3

About ethyl 6-methyl-2-(4-methylphenyl)-3-oxo-2,4-dihydro-1H-pyrazine-5-carboxylate

ethyl 6-methyl-2-(4-methylphenyl)-3-oxo-2,4-dihydro-1H-pyrazine-5-carboxylate (PubChem CID 23932086) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is ethyl 6-methyl-2-(4-methylphenyl)-3-oxo-2,4-dihydro-1H-pyrazine-5-carboxylate.

Molecular Properties

Compound Nameethyl 6-methyl-2-(4-methylphenyl)-3-oxo-2,4-dihydro-1H-pyrazine-5-carboxylate
PubChem CID23932086
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Nameethyl 6-methyl-2-(4-methylphenyl)-3-oxo-2,4-dihydro-1H-pyrazine-5-carboxylate
SMILESCCOC(=O)C1=C(C)NC(c2ccc(C)cc2)C(=O)N1
InChIInChI=1S/C15H18N2O3/c1-4-20-15(19)12-10(3)16-13(14(18)17-12)11-7-5-9(2)6-8-11/h5-8,13,16H,4H2,1-3H3,(H,17,18)
InChIKeyAEZIKERHJKONHQ-UHFFFAOYSA-N
XLogP1.55
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (4S)-6-methyl-4-(4-methylphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 716457
ethyl (4S)-4-(4-methylphenyl)-2-oxo-6-propyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 867966
ethyl 4-(4-fluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 650029
ethyl 4-[4-(2-hydroxyethoxy)phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 23928066
ethyl 4-(4-methylphenyl)-6-propyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 45258596
diethyl 2,6-dimethyl-4-(4-methylphenyl)-1H-pyrazine-3,5-dicarboxylate
CID 13477423
ethyl (4S)-4-(4-methylphenyl)-2-oxo-6-(pyrrolidin-1-ylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 51604736
ethyl (4S)-4-(4-methylphenyl)-2-sulfanylidene-6-(trifluoromethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 2323692
[(E)-but-2-enyl] (4S)-6-methyl-4-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 7102936
ethyl 4-(3,4-dimethylphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 102414677
ethyl (4S)-5-methyl-4-(4-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-6-carboxylate
CID 7031969
ethyl (4R)-6-methyl-4-[5-(4-methylphenyl)furan-2-yl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 95185342

Frequently Asked Questions

What is the IUPAC name of ethyl 6-methyl-2-(4-methylphenyl)-3-oxo-2,4-dihydro-1H-pyrazine-5-carboxylate?
The IUPAC name of ethyl 6-methyl-2-(4-methylphenyl)-3-oxo-2,4-dihydro-1H-pyrazine-5-carboxylate (CID 23932086) is ethyl 6-methyl-2-(4-methylphenyl)-3-oxo-2,4-dihydro-1H-pyrazine-5-carboxylate.
What is the SMILES notation for ethyl 6-methyl-2-(4-methylphenyl)-3-oxo-2,4-dihydro-1H-pyrazine-5-carboxylate?
The canonical SMILES for ethyl 6-methyl-2-(4-methylphenyl)-3-oxo-2,4-dihydro-1H-pyrazine-5-carboxylate is CCOC(=O)C1=C(C)NC(c2ccc(C)cc2)C(=O)N1.
What is the InChIKey of ethyl 6-methyl-2-(4-methylphenyl)-3-oxo-2,4-dihydro-1H-pyrazine-5-carboxylate?
The InChIKey is AEZIKERHJKONHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-4-20-15(19)12-10(3)16-13(14(18)17-12)11-7-5-9(2)6-8-11/h5-8,13,16H,4H2,1-3H3,(H,17,18).
What are the key properties of ethyl 6-methyl-2-(4-methylphenyl)-3-oxo-2,4-dihydro-1H-pyrazine-5-carboxylate?
ethyl 6-methyl-2-(4-methylphenyl)-3-oxo-2,4-dihydro-1H-pyrazine-5-carboxylate has a molecular weight of 274.32 g/mol, XLogP of 1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-methyl-2-(4-methylphenyl)-3-oxo-2,4-dihydro-1H-pyrazine-5-carboxylate is sourced from PubChem (CID 23932086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).