methyl 6-[2-(3-aminophenoxy)ethylamino]pyrazine-2-carboxylate

C14H16N4O3 — CID 66457557

IUPACmethyl 6-[2-(3-aminophenoxy)ethylamino]pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(NCCOc2cccc(N)c2)n1
InChIInChI=1S/C14H16N4O3/c1-20-14(19)12-8-16-9-13(18-12)17-5-6-21-11-4-2-3-10(15)7-11/h2-4,7-9H,5-6,15H2,1H3,(H,17,18)
InChIKeyPKKMGGLWDMHWRN-UHFFFAOYSA-N
MW288.31 g/mol
LogP1.34
Rot. Bonds6

About methyl 6-[2-(3-aminophenoxy)ethylamino]pyrazine-2-carboxylate

methyl 6-[2-(3-aminophenoxy)ethylamino]pyrazine-2-carboxylate (PubChem CID 66457557) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is methyl 6-[2-(3-aminophenoxy)ethylamino]pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[2-(3-aminophenoxy)ethylamino]pyrazine-2-carboxylate
PubChem CID66457557
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC Namemethyl 6-[2-(3-aminophenoxy)ethylamino]pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(NCCOc2cccc(N)c2)n1
InChIInChI=1S/C14H16N4O3/c1-20-14(19)12-8-16-9-13(18-12)17-5-6-21-11-4-2-3-10(15)7-11/h2-4,7-9H,5-6,15H2,1H3,(H,17,18)
InChIKeyPKKMGGLWDMHWRN-UHFFFAOYSA-N
XLogP1.34
TPSA99.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

methyl 6-[3-(2-aminoethoxy)anilino]pyrazine-2-carboxylate
CID 66456161
N-[2-(3-aminophenoxy)ethyl]-6-methylpyridin-2-amine
CID 61031885
methyl 6-(2-pyridin-3-ylethylamino)pyrazine-2-carboxylate
CID 66456102
3-[(6-methoxycarbonylpyrazin-2-yl)amino]propanoic acid
CID 66454375
methyl 6-[2-(2,2,2-trifluoroethoxy)ethylamino]pyrazine-2-carboxylate
CID 66458107
methyl 6-[2-(2-methylphenyl)ethylamino]pyrazine-2-carboxylate
CID 79749113
methyl 6-[2-(4-chlorophenyl)ethylamino]pyrazine-2-carboxylate
CID 66458088
6-chloro-N-(2-phenoxyethyl)pyrazin-2-amine
CID 11630185
methyl 6-(4-aminoanilino)pyrazine-2-carboxylate
CID 66456957
methyl 6-[2-(methylsulfamoyl)ethylamino]pyrazine-2-carboxylate
CID 114175311
N-[2-(3-aminophenoxy)ethyl]-2,2-dimethylbutanamide
CID 62679121
methyl 6-(3-pyrazol-1-ylpropylamino)pyrazine-2-carboxylate
CID 113247403

Frequently Asked Questions

What is the IUPAC name of methyl 6-[2-(3-aminophenoxy)ethylamino]pyrazine-2-carboxylate?
The IUPAC name of methyl 6-[2-(3-aminophenoxy)ethylamino]pyrazine-2-carboxylate (CID 66457557) is methyl 6-[2-(3-aminophenoxy)ethylamino]pyrazine-2-carboxylate.
What is the SMILES notation for methyl 6-[2-(3-aminophenoxy)ethylamino]pyrazine-2-carboxylate?
The canonical SMILES for methyl 6-[2-(3-aminophenoxy)ethylamino]pyrazine-2-carboxylate is COC(=O)c1cncc(NCCOc2cccc(N)c2)n1.
What is the InChIKey of methyl 6-[2-(3-aminophenoxy)ethylamino]pyrazine-2-carboxylate?
The InChIKey is PKKMGGLWDMHWRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3/c1-20-14(19)12-8-16-9-13(18-12)17-5-6-21-11-4-2-3-10(15)7-11/h2-4,7-9H,5-6,15H2,1H3,(H,17,18).
What are the key properties of methyl 6-[2-(3-aminophenoxy)ethylamino]pyrazine-2-carboxylate?
methyl 6-[2-(3-aminophenoxy)ethylamino]pyrazine-2-carboxylate has a molecular weight of 288.31 g/mol, XLogP of 1.34, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[2-(3-aminophenoxy)ethylamino]pyrazine-2-carboxylate is sourced from PubChem (CID 66457557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).