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

C21H29Cl2N3 — CID 53309547

IUPAC3-butyl-5-(2,4-dichlorophenyl)-6-ethyl-N-pentan-3-ylpyrazin-2-amine
SMILESCCCCc1nc(-c2ccc(Cl)cc2Cl)c(CC)nc1NC(CC)CC
InChIInChI=1S/C21H29Cl2N3/c1-5-9-10-19-21(24-15(6-2)7-3)26-18(8-4)20(25-19)16-12-11-14(22)13-17(16)23/h11-13,15H,5-10H2,1-4H3,(H,24,26)
InChIKeyCXCXCAAOXWLFFR-UHFFFAOYSA-N
MW394.39 g/mol
LogP6.96
Rot. Bonds9

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

3-butyl-5-(2,4-dichlorophenyl)-6-ethyl-N-pentan-3-ylpyrazin-2-amine (PubChem CID 53309547) has the molecular formula C21H29Cl2N3 and a molecular weight of 394.39 g/mol. Its IUPAC name is 3-butyl-5-(2,4-dichlorophenyl)-6-ethyl-N-pentan-3-ylpyrazin-2-amine.

Molecular Properties

Compound Name3-butyl-5-(2,4-dichlorophenyl)-6-ethyl-N-pentan-3-ylpyrazin-2-amine
PubChem CID53309547
Molecular FormulaC21H29Cl2N3
Molecular Weight394.39 g/mol
Exact Mass393.17
IUPAC Name3-butyl-5-(2,4-dichlorophenyl)-6-ethyl-N-pentan-3-ylpyrazin-2-amine
SMILESCCCCc1nc(-c2ccc(Cl)cc2Cl)c(CC)nc1NC(CC)CC
InChIInChI=1S/C21H29Cl2N3/c1-5-9-10-19-21(24-15(6-2)7-3)26-18(8-4)20(25-19)16-12-11-14(22)13-17(16)23/h11-13,15H,5-10H2,1-4H3,(H,24,26)
InChIKeyCXCXCAAOXWLFFR-UHFFFAOYSA-N
XLogP6.96
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.39
LogP ≤ 56.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-5-(2,4-dichlorophenyl)-6-ethyl-N-pentan-3-ylpyrazin-2-amine?
The IUPAC name of 3-butyl-5-(2,4-dichlorophenyl)-6-ethyl-N-pentan-3-ylpyrazin-2-amine (CID 53309547) is 3-butyl-5-(2,4-dichlorophenyl)-6-ethyl-N-pentan-3-ylpyrazin-2-amine.
What is the SMILES notation for 3-butyl-5-(2,4-dichlorophenyl)-6-ethyl-N-pentan-3-ylpyrazin-2-amine?
The canonical SMILES for 3-butyl-5-(2,4-dichlorophenyl)-6-ethyl-N-pentan-3-ylpyrazin-2-amine is CCCCc1nc(-c2ccc(Cl)cc2Cl)c(CC)nc1NC(CC)CC.
What is the InChIKey of 3-butyl-5-(2,4-dichlorophenyl)-6-ethyl-N-pentan-3-ylpyrazin-2-amine?
The InChIKey is CXCXCAAOXWLFFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29Cl2N3/c1-5-9-10-19-21(24-15(6-2)7-3)26-18(8-4)20(25-19)16-12-11-14(22)13-17(16)23/h11-13,15H,5-10H2,1-4H3,(H,24,26).
What are the key properties of 3-butyl-5-(2,4-dichlorophenyl)-6-ethyl-N-pentan-3-ylpyrazin-2-amine?
3-butyl-5-(2,4-dichlorophenyl)-6-ethyl-N-pentan-3-ylpyrazin-2-amine has a molecular weight of 394.39 g/mol, XLogP of 6.96, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-5-(2,4-dichlorophenyl)-6-ethyl-N-pentan-3-ylpyrazin-2-amine is sourced from PubChem (CID 53309547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).