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

C17H20Cl2IN3 — CID 22248932

IUPAC5-(2,4-dichlorophenyl)-6-ethyl-3-iodo-N-pentan-3-ylpyrazin-2-amine
SMILESCCc1nc(NC(CC)CC)c(I)nc1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H20Cl2IN3/c1-4-11(5-2)21-17-16(20)23-15(14(6-3)22-17)12-8-7-10(18)9-13(12)19/h7-9,11H,4-6H2,1-3H3,(H,21,22)
InChIKeyBVPKQHXGXQMARP-UHFFFAOYSA-N
MW464.18 g/mol
LogP6.22
Rot. Bonds6

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

5-(2,4-dichlorophenyl)-6-ethyl-3-iodo-N-pentan-3-ylpyrazin-2-amine (PubChem CID 22248932) has the molecular formula C17H20Cl2IN3 and a molecular weight of 464.18 g/mol. Its IUPAC name is 5-(2,4-dichlorophenyl)-6-ethyl-3-iodo-N-pentan-3-ylpyrazin-2-amine.

Molecular Properties

Compound Name5-(2,4-dichlorophenyl)-6-ethyl-3-iodo-N-pentan-3-ylpyrazin-2-amine
PubChem CID22248932
Molecular FormulaC17H20Cl2IN3
Molecular Weight464.18 g/mol
Exact Mass463.01
IUPAC Name5-(2,4-dichlorophenyl)-6-ethyl-3-iodo-N-pentan-3-ylpyrazin-2-amine
SMILESCCc1nc(NC(CC)CC)c(I)nc1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H20Cl2IN3/c1-4-11(5-2)21-17-16(20)23-15(14(6-3)22-17)12-8-7-10(18)9-13(12)19/h7-9,11H,4-6H2,1-3H3,(H,21,22)
InChIKeyBVPKQHXGXQMARP-UHFFFAOYSA-N
XLogP6.22
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.18
LogP ≤ 56.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dichlorophenyl)-6-ethyl-3-iodo-N-pentan-3-ylpyrazin-2-amine?
The IUPAC name of 5-(2,4-dichlorophenyl)-6-ethyl-3-iodo-N-pentan-3-ylpyrazin-2-amine (CID 22248932) is 5-(2,4-dichlorophenyl)-6-ethyl-3-iodo-N-pentan-3-ylpyrazin-2-amine.
What is the SMILES notation for 5-(2,4-dichlorophenyl)-6-ethyl-3-iodo-N-pentan-3-ylpyrazin-2-amine?
The canonical SMILES for 5-(2,4-dichlorophenyl)-6-ethyl-3-iodo-N-pentan-3-ylpyrazin-2-amine is CCc1nc(NC(CC)CC)c(I)nc1-c1ccc(Cl)cc1Cl.
What is the InChIKey of 5-(2,4-dichlorophenyl)-6-ethyl-3-iodo-N-pentan-3-ylpyrazin-2-amine?
The InChIKey is BVPKQHXGXQMARP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20Cl2IN3/c1-4-11(5-2)21-17-16(20)23-15(14(6-3)22-17)12-8-7-10(18)9-13(12)19/h7-9,11H,4-6H2,1-3H3,(H,21,22).
What are the key properties of 5-(2,4-dichlorophenyl)-6-ethyl-3-iodo-N-pentan-3-ylpyrazin-2-amine?
5-(2,4-dichlorophenyl)-6-ethyl-3-iodo-N-pentan-3-ylpyrazin-2-amine has a molecular weight of 464.18 g/mol, XLogP of 6.22, 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-iodo-N-pentan-3-ylpyrazin-2-amine is sourced from PubChem (CID 22248932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).