2-(2,4-dichlorophenyl)-3,6-dimethyl-5-(1-methylpyrrolidin-3-yl)oxypyrazine

C17H19Cl2N3O — CID 22147446

IUPAC2-(2,4-dichlorophenyl)-3,6-dimethyl-5-(1-methylpyrrolidin-3-yl)oxypyrazine
SMILESCc1nc(-c2ccc(Cl)cc2Cl)c(C)nc1OC1CCN(C)C1
InChIInChI=1S/C17H19Cl2N3O/c1-10-16(14-5-4-12(18)8-15(14)19)20-11(2)17(21-10)23-13-6-7-22(3)9-13/h4-5,8,13H,6-7,9H2,1-3H3
InChIKeyLLJMDSGZXZZYJU-UHFFFAOYSA-N
MW352.27 g/mol
LogP4.15
Rot. Bonds3

About 2-(2,4-dichlorophenyl)-3,6-dimethyl-5-(1-methylpyrrolidin-3-yl)oxypyrazine

2-(2,4-dichlorophenyl)-3,6-dimethyl-5-(1-methylpyrrolidin-3-yl)oxypyrazine (PubChem CID 22147446) has the molecular formula C17H19Cl2N3O and a molecular weight of 352.27 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-3,6-dimethyl-5-(1-methylpyrrolidin-3-yl)oxypyrazine.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-3,6-dimethyl-5-(1-methylpyrrolidin-3-yl)oxypyrazine
PubChem CID22147446
Molecular FormulaC17H19Cl2N3O
Molecular Weight352.27 g/mol
Exact Mass351.09
IUPAC Name2-(2,4-dichlorophenyl)-3,6-dimethyl-5-(1-methylpyrrolidin-3-yl)oxypyrazine
SMILESCc1nc(-c2ccc(Cl)cc2Cl)c(C)nc1OC1CCN(C)C1
InChIInChI=1S/C17H19Cl2N3O/c1-10-16(14-5-4-12(18)8-15(14)19)20-11(2)17(21-10)23-13-6-7-22(3)9-13/h4-5,8,13H,6-7,9H2,1-3H3
InChIKeyLLJMDSGZXZZYJU-UHFFFAOYSA-N
XLogP4.15
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.27
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-3,6-dimethyl-5-(1-methylpyrrolidin-3-yl)oxypyrazine?
The IUPAC name of 2-(2,4-dichlorophenyl)-3,6-dimethyl-5-(1-methylpyrrolidin-3-yl)oxypyrazine (CID 22147446) is 2-(2,4-dichlorophenyl)-3,6-dimethyl-5-(1-methylpyrrolidin-3-yl)oxypyrazine.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-3,6-dimethyl-5-(1-methylpyrrolidin-3-yl)oxypyrazine?
The canonical SMILES for 2-(2,4-dichlorophenyl)-3,6-dimethyl-5-(1-methylpyrrolidin-3-yl)oxypyrazine is Cc1nc(-c2ccc(Cl)cc2Cl)c(C)nc1OC1CCN(C)C1.
What is the InChIKey of 2-(2,4-dichlorophenyl)-3,6-dimethyl-5-(1-methylpyrrolidin-3-yl)oxypyrazine?
The InChIKey is LLJMDSGZXZZYJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2N3O/c1-10-16(14-5-4-12(18)8-15(14)19)20-11(2)17(21-10)23-13-6-7-22(3)9-13/h4-5,8,13H,6-7,9H2,1-3H3.
What are the key properties of 2-(2,4-dichlorophenyl)-3,6-dimethyl-5-(1-methylpyrrolidin-3-yl)oxypyrazine?
2-(2,4-dichlorophenyl)-3,6-dimethyl-5-(1-methylpyrrolidin-3-yl)oxypyrazine has a molecular weight of 352.27 g/mol, XLogP of 4.15, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-3,6-dimethyl-5-(1-methylpyrrolidin-3-yl)oxypyrazine is sourced from PubChem (CID 22147446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).