5-(2-chloro-4-methoxyphenyl)-3,6-diethyl-N-pyrrolidin-1-ylpyrazin-2-amine;methoxyethane

C22H33ClN4O2 — CID 142247125

IUPAC5-(2-chloro-4-methoxyphenyl)-3,6-diethyl-N-pyrrolidin-1-ylpyrazin-2-amine;methoxyethane
SMILESCCOC.CCc1nc(-c2ccc(OC)cc2Cl)c(CC)nc1NN1CCCC1
InChIInChI=1S/C19H25ClN4O.C3H8O/c1-4-16-18(14-9-8-13(25-3)12-15(14)20)21-17(5-2)19(22-16)23-24-10-6-7-11-24;1-3-4-2/h8-9,12H,4-7,10-11H2,1-3H3,(H,22,23);3H2,1-2H3
InChIKeyGUKZUIJPVSZFOB-UHFFFAOYSA-N
MW420.99 g/mol
LogP5.01
Rot. Bonds7

About 5-(2-chloro-4-methoxyphenyl)-3,6-diethyl-N-pyrrolidin-1-ylpyrazin-2-amine;methoxyethane

5-(2-chloro-4-methoxyphenyl)-3,6-diethyl-N-pyrrolidin-1-ylpyrazin-2-amine;methoxyethane (PubChem CID 142247125) has the molecular formula C22H33ClN4O2 and a molecular weight of 420.99 g/mol. Its IUPAC name is 5-(2-chloro-4-methoxyphenyl)-3,6-diethyl-N-pyrrolidin-1-ylpyrazin-2-amine;methoxyethane.

Molecular Properties

Compound Name5-(2-chloro-4-methoxyphenyl)-3,6-diethyl-N-pyrrolidin-1-ylpyrazin-2-amine;methoxyethane
PubChem CID142247125
Molecular FormulaC22H33ClN4O2
Molecular Weight420.99 g/mol
Exact Mass420.23
IUPAC Name5-(2-chloro-4-methoxyphenyl)-3,6-diethyl-N-pyrrolidin-1-ylpyrazin-2-amine;methoxyethane
SMILESCCOC.CCc1nc(-c2ccc(OC)cc2Cl)c(CC)nc1NN1CCCC1
InChIInChI=1S/C19H25ClN4O.C3H8O/c1-4-16-18(14-9-8-13(25-3)12-15(14)20)21-17(5-2)19(22-16)23-24-10-6-7-11-24;1-3-4-2/h8-9,12H,4-7,10-11H2,1-3H3,(H,22,23);3H2,1-2H3
InChIKeyGUKZUIJPVSZFOB-UHFFFAOYSA-N
XLogP5.01
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.99
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-4-methoxyphenyl)-3,6-diethyl-N-pyrrolidin-1-ylpyrazin-2-amine;methoxyethane?
The IUPAC name of 5-(2-chloro-4-methoxyphenyl)-3,6-diethyl-N-pyrrolidin-1-ylpyrazin-2-amine;methoxyethane (CID 142247125) is 5-(2-chloro-4-methoxyphenyl)-3,6-diethyl-N-pyrrolidin-1-ylpyrazin-2-amine;methoxyethane.
What is the SMILES notation for 5-(2-chloro-4-methoxyphenyl)-3,6-diethyl-N-pyrrolidin-1-ylpyrazin-2-amine;methoxyethane?
The canonical SMILES for 5-(2-chloro-4-methoxyphenyl)-3,6-diethyl-N-pyrrolidin-1-ylpyrazin-2-amine;methoxyethane is CCOC.CCc1nc(-c2ccc(OC)cc2Cl)c(CC)nc1NN1CCCC1.
What is the InChIKey of 5-(2-chloro-4-methoxyphenyl)-3,6-diethyl-N-pyrrolidin-1-ylpyrazin-2-amine;methoxyethane?
The InChIKey is GUKZUIJPVSZFOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN4O.C3H8O/c1-4-16-18(14-9-8-13(25-3)12-15(14)20)21-17(5-2)19(22-16)23-24-10-6-7-11-24;1-3-4-2/h8-9,12H,4-7,10-11H2,1-3H3,(H,22,23);3H2,1-2H3.
What are the key properties of 5-(2-chloro-4-methoxyphenyl)-3,6-diethyl-N-pyrrolidin-1-ylpyrazin-2-amine;methoxyethane?
5-(2-chloro-4-methoxyphenyl)-3,6-diethyl-N-pyrrolidin-1-ylpyrazin-2-amine;methoxyethane has a molecular weight of 420.99 g/mol, XLogP of 5.01, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-4-methoxyphenyl)-3,6-diethyl-N-pyrrolidin-1-ylpyrazin-2-amine;methoxyethane is sourced from PubChem (CID 142247125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).