methyl 6-[3-(2-aminoethoxy)anilino]pyrazine-2-carboxylate

C14H16N4O3 — CID 66456161

IUPACmethyl 6-[3-(2-aminoethoxy)anilino]pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(Nc2cccc(OCCN)c2)n1
InChIInChI=1S/C14H16N4O3/c1-20-14(19)12-8-16-9-13(18-12)17-10-3-2-4-11(7-10)21-6-5-15/h2-4,7-9H,5-6,15H2,1H3,(H,17,18)
InChIKeyCCTUIHFTHNSLDJ-UHFFFAOYSA-N
MW288.31 g/mol
LogP1.34
Rot. Bonds6

About methyl 6-[3-(2-aminoethoxy)anilino]pyrazine-2-carboxylate

methyl 6-[3-(2-aminoethoxy)anilino]pyrazine-2-carboxylate (PubChem CID 66456161) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is methyl 6-[3-(2-aminoethoxy)anilino]pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[3-(2-aminoethoxy)anilino]pyrazine-2-carboxylate
PubChem CID66456161
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC Namemethyl 6-[3-(2-aminoethoxy)anilino]pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(Nc2cccc(OCCN)c2)n1
InChIInChI=1S/C14H16N4O3/c1-20-14(19)12-8-16-9-13(18-12)17-10-3-2-4-11(7-10)21-6-5-15/h2-4,7-9H,5-6,15H2,1H3,(H,17,18)
InChIKeyCCTUIHFTHNSLDJ-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

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Related Compounds

methyl 6-[3-(2-aminoethoxy)anilino]pyridazine-3-carboxylate
CID 63121112
methyl 6-[3-(methoxymethyl)anilino]pyrazine-2-carboxylate
CID 66451042
methyl 6-[2-(3-aminophenoxy)ethylamino]pyrazine-2-carboxylate
CID 66457557
methyl 6-(3,4-dichloroanilino)pyrazine-2-carboxylate
CID 66457541
methyl 6-(4-aminoanilino)pyrazine-2-carboxylate
CID 66456957
methyl 6-(2,4-difluoroanilino)pyrazine-2-carboxylate
CID 66457948
methyl 6-(4-methylanilino)pyrazine-2-carboxylate
CID 66455786
N-[3-(2-aminoethoxy)phenyl]-5-bromo-4-methoxypyrimidin-2-amine
CID 106998107
N-[3-(2-aminoethoxy)phenyl]-6-ethoxypyridin-2-amine
CID 63590964
methyl 6-(4-acetamidoanilino)pyrazine-2-carboxylate
CID 66456378
N-[3-(2-aminoethoxy)phenyl]-4,6-dimethylpyrimidin-2-amine
CID 63121057
N-[3-(2-aminoethoxy)phenyl]-3-bromo-5-nitropyridin-4-amine
CID 103519572

Frequently Asked Questions

What is the IUPAC name of methyl 6-[3-(2-aminoethoxy)anilino]pyrazine-2-carboxylate?
The IUPAC name of methyl 6-[3-(2-aminoethoxy)anilino]pyrazine-2-carboxylate (CID 66456161) is methyl 6-[3-(2-aminoethoxy)anilino]pyrazine-2-carboxylate.
What is the SMILES notation for methyl 6-[3-(2-aminoethoxy)anilino]pyrazine-2-carboxylate?
The canonical SMILES for methyl 6-[3-(2-aminoethoxy)anilino]pyrazine-2-carboxylate is COC(=O)c1cncc(Nc2cccc(OCCN)c2)n1.
What is the InChIKey of methyl 6-[3-(2-aminoethoxy)anilino]pyrazine-2-carboxylate?
The InChIKey is CCTUIHFTHNSLDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3/c1-20-14(19)12-8-16-9-13(18-12)17-10-3-2-4-11(7-10)21-6-5-15/h2-4,7-9H,5-6,15H2,1H3,(H,17,18).
What are the key properties of methyl 6-[3-(2-aminoethoxy)anilino]pyrazine-2-carboxylate?
methyl 6-[3-(2-aminoethoxy)anilino]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-[3-(2-aminoethoxy)anilino]pyrazine-2-carboxylate is sourced from PubChem (CID 66456161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).