diethyl 2,6-dimethyl-4-(4-methylphenyl)-1H-pyrazine-3,5-dicarboxylate

C19H24N2O4 — CID 13477423

IUPACdiethyl 2,6-dimethyl-4-(4-methylphenyl)-1H-pyrazine-3,5-dicarboxylate
SMILESCCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)N1c1ccc(C)cc1
InChIInChI=1S/C19H24N2O4/c1-6-24-18(22)16-13(4)20-14(5)17(19(23)25-7-2)21(16)15-10-8-12(3)9-11-15/h8-11,20H,6-7H2,1-5H3
InChIKeyQAZGCWDQXVNACG-UHFFFAOYSA-N
MW344.41 g/mol
LogP2.99
Rot. Bonds5

About diethyl 2,6-dimethyl-4-(4-methylphenyl)-1H-pyrazine-3,5-dicarboxylate

diethyl 2,6-dimethyl-4-(4-methylphenyl)-1H-pyrazine-3,5-dicarboxylate (PubChem CID 13477423) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is diethyl 2,6-dimethyl-4-(4-methylphenyl)-1H-pyrazine-3,5-dicarboxylate.

Molecular Properties

Compound Namediethyl 2,6-dimethyl-4-(4-methylphenyl)-1H-pyrazine-3,5-dicarboxylate
PubChem CID13477423
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Namediethyl 2,6-dimethyl-4-(4-methylphenyl)-1H-pyrazine-3,5-dicarboxylate
SMILESCCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)N1c1ccc(C)cc1
InChIInChI=1S/C19H24N2O4/c1-6-24-18(22)16-13(4)20-14(5)17(19(23)25-7-2)21(16)15-10-8-12(3)9-11-15/h8-11,20H,6-7H2,1-5H3
InChIKeyQAZGCWDQXVNACG-UHFFFAOYSA-N
XLogP2.99
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of diethyl 2,6-dimethyl-4-(4-methylphenyl)-1H-pyrazine-3,5-dicarboxylate?
The IUPAC name of diethyl 2,6-dimethyl-4-(4-methylphenyl)-1H-pyrazine-3,5-dicarboxylate (CID 13477423) is diethyl 2,6-dimethyl-4-(4-methylphenyl)-1H-pyrazine-3,5-dicarboxylate.
What is the SMILES notation for diethyl 2,6-dimethyl-4-(4-methylphenyl)-1H-pyrazine-3,5-dicarboxylate?
The canonical SMILES for diethyl 2,6-dimethyl-4-(4-methylphenyl)-1H-pyrazine-3,5-dicarboxylate is CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)N1c1ccc(C)cc1.
What is the InChIKey of diethyl 2,6-dimethyl-4-(4-methylphenyl)-1H-pyrazine-3,5-dicarboxylate?
The InChIKey is QAZGCWDQXVNACG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-6-24-18(22)16-13(4)20-14(5)17(19(23)25-7-2)21(16)15-10-8-12(3)9-11-15/h8-11,20H,6-7H2,1-5H3.
What are the key properties of diethyl 2,6-dimethyl-4-(4-methylphenyl)-1H-pyrazine-3,5-dicarboxylate?
diethyl 2,6-dimethyl-4-(4-methylphenyl)-1H-pyrazine-3,5-dicarboxylate has a molecular weight of 344.41 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2,6-dimethyl-4-(4-methylphenyl)-1H-pyrazine-3,5-dicarboxylate is sourced from PubChem (CID 13477423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).