5-(2,4-dichlorophenyl)-6-ethyl-3-methyl-N-pentan-3-ylpyrazin-2-amine

C18H23Cl2N3 — CID 22249007

IUPAC5-(2,4-dichlorophenyl)-6-ethyl-3-methyl-N-pentan-3-ylpyrazin-2-amine
SMILESCCc1nc(NC(CC)CC)c(C)nc1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C18H23Cl2N3/c1-5-13(6-2)22-18-11(4)21-17(16(7-3)23-18)14-9-8-12(19)10-15(14)20/h8-10,13H,5-7H2,1-4H3,(H,22,23)
InChIKeyJSNDUPYHVNEBAN-UHFFFAOYSA-N
MW352.31 g/mol
LogP5.92
Rot. Bonds6

About 5-(2,4-dichlorophenyl)-6-ethyl-3-methyl-N-pentan-3-ylpyrazin-2-amine

5-(2,4-dichlorophenyl)-6-ethyl-3-methyl-N-pentan-3-ylpyrazin-2-amine (PubChem CID 22249007) has the molecular formula C18H23Cl2N3 and a molecular weight of 352.31 g/mol. Its IUPAC name is 5-(2,4-dichlorophenyl)-6-ethyl-3-methyl-N-pentan-3-ylpyrazin-2-amine.

Molecular Properties

Compound Name5-(2,4-dichlorophenyl)-6-ethyl-3-methyl-N-pentan-3-ylpyrazin-2-amine
PubChem CID22249007
Molecular FormulaC18H23Cl2N3
Molecular Weight352.31 g/mol
Exact Mass351.13
IUPAC Name5-(2,4-dichlorophenyl)-6-ethyl-3-methyl-N-pentan-3-ylpyrazin-2-amine
SMILESCCc1nc(NC(CC)CC)c(C)nc1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C18H23Cl2N3/c1-5-13(6-2)22-18-11(4)21-17(16(7-3)23-18)14-9-8-12(19)10-15(14)20/h8-10,13H,5-7H2,1-4H3,(H,22,23)
InChIKeyJSNDUPYHVNEBAN-UHFFFAOYSA-N
XLogP5.92
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.31
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dichlorophenyl)-6-ethyl-3-methyl-N-pentan-3-ylpyrazin-2-amine?
The IUPAC name of 5-(2,4-dichlorophenyl)-6-ethyl-3-methyl-N-pentan-3-ylpyrazin-2-amine (CID 22249007) is 5-(2,4-dichlorophenyl)-6-ethyl-3-methyl-N-pentan-3-ylpyrazin-2-amine.
What is the SMILES notation for 5-(2,4-dichlorophenyl)-6-ethyl-3-methyl-N-pentan-3-ylpyrazin-2-amine?
The canonical SMILES for 5-(2,4-dichlorophenyl)-6-ethyl-3-methyl-N-pentan-3-ylpyrazin-2-amine is CCc1nc(NC(CC)CC)c(C)nc1-c1ccc(Cl)cc1Cl.
What is the InChIKey of 5-(2,4-dichlorophenyl)-6-ethyl-3-methyl-N-pentan-3-ylpyrazin-2-amine?
The InChIKey is JSNDUPYHVNEBAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23Cl2N3/c1-5-13(6-2)22-18-11(4)21-17(16(7-3)23-18)14-9-8-12(19)10-15(14)20/h8-10,13H,5-7H2,1-4H3,(H,22,23).
What are the key properties of 5-(2,4-dichlorophenyl)-6-ethyl-3-methyl-N-pentan-3-ylpyrazin-2-amine?
5-(2,4-dichlorophenyl)-6-ethyl-3-methyl-N-pentan-3-ylpyrazin-2-amine has a molecular weight of 352.31 g/mol, XLogP of 5.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dichlorophenyl)-6-ethyl-3-methyl-N-pentan-3-ylpyrazin-2-amine is sourced from PubChem (CID 22249007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).