methyl 6-[2-(2-methylphenyl)ethylamino]pyrazine-2-carboxylate

C15H17N3O2 — CID 79749113

IUPACmethyl 6-[2-(2-methylphenyl)ethylamino]pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(NCCc2ccccc2C)n1
InChIInChI=1S/C15H17N3O2/c1-11-5-3-4-6-12(11)7-8-17-14-10-16-9-13(18-14)15(19)20-2/h3-6,9-10H,7-8H2,1-2H3,(H,17,18)
InChIKeyHXYBYQDYVXFMBQ-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.23
Rot. Bonds5

About methyl 6-[2-(2-methylphenyl)ethylamino]pyrazine-2-carboxylate

methyl 6-[2-(2-methylphenyl)ethylamino]pyrazine-2-carboxylate (PubChem CID 79749113) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is methyl 6-[2-(2-methylphenyl)ethylamino]pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[2-(2-methylphenyl)ethylamino]pyrazine-2-carboxylate
PubChem CID79749113
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Namemethyl 6-[2-(2-methylphenyl)ethylamino]pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(NCCc2ccccc2C)n1
InChIInChI=1S/C15H17N3O2/c1-11-5-3-4-6-12(11)7-8-17-14-10-16-9-13(18-14)15(19)20-2/h3-6,9-10H,7-8H2,1-2H3,(H,17,18)
InChIKeyHXYBYQDYVXFMBQ-UHFFFAOYSA-N
XLogP2.23
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 6-[2-(2-fluorophenyl)ethylamino]pyrazine-2-carboxylate
CID 66457279
6-chloro-N-[2-(2-methylphenyl)ethyl]pyrazin-2-amine
CID 47151369
methyl 6-(2-pyridin-3-ylethylamino)pyrazine-2-carboxylate
CID 66456102
methyl 6-[2-(4-chlorophenyl)ethylamino]pyrazine-2-carboxylate
CID 66458088
3-[(6-methoxycarbonylpyrazin-2-yl)amino]propanoic acid
CID 66454375
methyl 6-[(2-methylphenyl)methylsulfanyl]pyrazine-2-carboxylate
CID 66449412
methyl 6-[(2-methyl-2-phenylpropyl)amino]pyrazine-2-carboxylate
CID 66455911
methyl 6-[2-(methylsulfamoyl)ethylamino]pyrazine-2-carboxylate
CID 114175311
methyl 6-(3-pyrazol-1-ylpropylamino)pyrazine-2-carboxylate
CID 113247403
methyl 6-(2-cyclopentylethylamino)pyrazine-2-carboxylate
CID 66456697
methyl 6-(4-phenylbutan-2-ylamino)pyrazine-2-carboxylate
CID 66456714
methyl 6-[2-(2,2,2-trifluoroethoxy)ethylamino]pyrazine-2-carboxylate
CID 66458107

Frequently Asked Questions

What is the IUPAC name of methyl 6-[2-(2-methylphenyl)ethylamino]pyrazine-2-carboxylate?
The IUPAC name of methyl 6-[2-(2-methylphenyl)ethylamino]pyrazine-2-carboxylate (CID 79749113) is methyl 6-[2-(2-methylphenyl)ethylamino]pyrazine-2-carboxylate.
What is the SMILES notation for methyl 6-[2-(2-methylphenyl)ethylamino]pyrazine-2-carboxylate?
The canonical SMILES for methyl 6-[2-(2-methylphenyl)ethylamino]pyrazine-2-carboxylate is COC(=O)c1cncc(NCCc2ccccc2C)n1.
What is the InChIKey of methyl 6-[2-(2-methylphenyl)ethylamino]pyrazine-2-carboxylate?
The InChIKey is HXYBYQDYVXFMBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-11-5-3-4-6-12(11)7-8-17-14-10-16-9-13(18-14)15(19)20-2/h3-6,9-10H,7-8H2,1-2H3,(H,17,18).
What are the key properties of methyl 6-[2-(2-methylphenyl)ethylamino]pyrazine-2-carboxylate?
methyl 6-[2-(2-methylphenyl)ethylamino]pyrazine-2-carboxylate has a molecular weight of 271.32 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[2-(2-methylphenyl)ethylamino]pyrazine-2-carboxylate is sourced from PubChem (CID 79749113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).