5-[2-[[4-(2-methoxyethyl)phenoxy]methyl]phenyl]pyrazin-2-amine

C20H21N3O2 — CID 72849833

IUPAC5-[2-[[4-(2-methoxyethyl)phenoxy]methyl]phenyl]pyrazin-2-amine
SMILESCOCCc1ccc(OCc2ccccc2-c2cnc(N)cn2)cc1
InChIInChI=1S/C20H21N3O2/c1-24-11-10-15-6-8-17(9-7-15)25-14-16-4-2-3-5-18(16)19-12-23-20(21)13-22-19/h2-9,12-13H,10-11,14H2,1H3,(H2,21,23)
InChIKeyLJHMBNSOUYMKAL-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.49
Rot. Bonds7

About 5-[2-[[4-(2-methoxyethyl)phenoxy]methyl]phenyl]pyrazin-2-amine

5-[2-[[4-(2-methoxyethyl)phenoxy]methyl]phenyl]pyrazin-2-amine (PubChem CID 72849833) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 5-[2-[[4-(2-methoxyethyl)phenoxy]methyl]phenyl]pyrazin-2-amine.

Molecular Properties

Compound Name5-[2-[[4-(2-methoxyethyl)phenoxy]methyl]phenyl]pyrazin-2-amine
PubChem CID72849833
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name5-[2-[[4-(2-methoxyethyl)phenoxy]methyl]phenyl]pyrazin-2-amine
SMILESCOCCc1ccc(OCc2ccccc2-c2cnc(N)cn2)cc1
InChIInChI=1S/C20H21N3O2/c1-24-11-10-15-6-8-17(9-7-15)25-14-16-4-2-3-5-18(16)19-12-23-20(21)13-22-19/h2-9,12-13H,10-11,14H2,1H3,(H2,21,23)
InChIKeyLJHMBNSOUYMKAL-UHFFFAOYSA-N
XLogP3.49
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[[4-(2-methoxyethyl)phenoxy]methyl]phenyl]pyrazin-2-amine?
The IUPAC name of 5-[2-[[4-(2-methoxyethyl)phenoxy]methyl]phenyl]pyrazin-2-amine (CID 72849833) is 5-[2-[[4-(2-methoxyethyl)phenoxy]methyl]phenyl]pyrazin-2-amine.
What is the SMILES notation for 5-[2-[[4-(2-methoxyethyl)phenoxy]methyl]phenyl]pyrazin-2-amine?
The canonical SMILES for 5-[2-[[4-(2-methoxyethyl)phenoxy]methyl]phenyl]pyrazin-2-amine is COCCc1ccc(OCc2ccccc2-c2cnc(N)cn2)cc1.
What is the InChIKey of 5-[2-[[4-(2-methoxyethyl)phenoxy]methyl]phenyl]pyrazin-2-amine?
The InChIKey is LJHMBNSOUYMKAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-24-11-10-15-6-8-17(9-7-15)25-14-16-4-2-3-5-18(16)19-12-23-20(21)13-22-19/h2-9,12-13H,10-11,14H2,1H3,(H2,21,23).
What are the key properties of 5-[2-[[4-(2-methoxyethyl)phenoxy]methyl]phenyl]pyrazin-2-amine?
5-[2-[[4-(2-methoxyethyl)phenoxy]methyl]phenyl]pyrazin-2-amine has a molecular weight of 335.41 g/mol, XLogP of 3.49, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[[4-(2-methoxyethyl)phenoxy]methyl]phenyl]pyrazin-2-amine is sourced from PubChem (CID 72849833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).