(2,6-dimethoxyphenyl) 5-methylpyrazine-2-carboxylate

C14H14N2O4 — CID 18074634

IUPAC(2,6-dimethoxyphenyl) 5-methylpyrazine-2-carboxylate
SMILESCOc1cccc(OC)c1OC(=O)c1cnc(C)cn1
InChIInChI=1S/C14H14N2O4/c1-9-7-16-10(8-15-9)14(17)20-13-11(18-2)5-4-6-12(13)19-3/h4-8H,1-3H3
InChIKeyMUKFRCUTKQEEND-UHFFFAOYSA-N
MW274.28 g/mol
LogP2.02
Rot. Bonds4

About (2,6-dimethoxyphenyl) 5-methylpyrazine-2-carboxylate

(2,6-dimethoxyphenyl) 5-methylpyrazine-2-carboxylate (PubChem CID 18074634) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is (2,6-dimethoxyphenyl) 5-methylpyrazine-2-carboxylate.

Molecular Properties

Compound Name(2,6-dimethoxyphenyl) 5-methylpyrazine-2-carboxylate
PubChem CID18074634
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Name(2,6-dimethoxyphenyl) 5-methylpyrazine-2-carboxylate
SMILESCOc1cccc(OC)c1OC(=O)c1cnc(C)cn1
InChIInChI=1S/C14H14N2O4/c1-9-7-16-10(8-15-9)14(17)20-13-11(18-2)5-4-6-12(13)19-3/h4-8H,1-3H3
InChIKeyMUKFRCUTKQEEND-UHFFFAOYSA-N
XLogP2.02
TPSA70.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[2-(2-methoxyphenyl)-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 8634442
(3,4-dimethylphenyl) 5-methylpyrazine-2-carboxylate
CID 2457299
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 7950190
[2-(2-methoxyanilino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 2391136
(4-methoxycarbonylphenyl) 5-methylpyrazine-2-carboxylate
CID 7956905
(4-iodophenyl) 5-methylpyrazine-2-carboxylate
CID 47099393
[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 2630390
methyl 8-methoxyisoquinoline-3-carboxylate
CID 66940406
(4-tert-butyl-2-methylphenyl) 5-methylpyrazine-2-carboxylate
CID 7920650
ethyl 5-methoxyisoquinoline-3-carboxylate
CID 131699571
N-[2-(2-methoxyphenyl)ethyl]-5-methylpyrazine-2-carboxamide
CID 26181262
2-O-(2,6-dimethoxyphenyl) 1-O-methyl benzene-1,2-dicarboxylate
CID 6424506

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethoxyphenyl) 5-methylpyrazine-2-carboxylate?
The IUPAC name of (2,6-dimethoxyphenyl) 5-methylpyrazine-2-carboxylate (CID 18074634) is (2,6-dimethoxyphenyl) 5-methylpyrazine-2-carboxylate.
What is the SMILES notation for (2,6-dimethoxyphenyl) 5-methylpyrazine-2-carboxylate?
The canonical SMILES for (2,6-dimethoxyphenyl) 5-methylpyrazine-2-carboxylate is COc1cccc(OC)c1OC(=O)c1cnc(C)cn1.
What is the InChIKey of (2,6-dimethoxyphenyl) 5-methylpyrazine-2-carboxylate?
The InChIKey is MUKFRCUTKQEEND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4/c1-9-7-16-10(8-15-9)14(17)20-13-11(18-2)5-4-6-12(13)19-3/h4-8H,1-3H3.
What are the key properties of (2,6-dimethoxyphenyl) 5-methylpyrazine-2-carboxylate?
(2,6-dimethoxyphenyl) 5-methylpyrazine-2-carboxylate has a molecular weight of 274.28 g/mol, XLogP of 2.02, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethoxyphenyl) 5-methylpyrazine-2-carboxylate is sourced from PubChem (CID 18074634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).