5-bromo-6-(2-chloro-4-methoxyphenyl)-3-hexan-3-yloxy-N-methylpyrazin-2-amine

C18H23BrClN3O2 — CID 58804456

IUPAC5-bromo-6-(2-chloro-4-methoxyphenyl)-3-hexan-3-yloxy-N-methylpyrazin-2-amine
SMILESCCCC(CC)Oc1nc(Br)c(-c2ccc(OC)cc2Cl)nc1NC
InChIInChI=1S/C18H23BrClN3O2/c1-5-7-11(6-2)25-18-17(21-3)22-15(16(19)23-18)13-9-8-12(24-4)10-14(13)20/h8-11H,5-7H2,1-4H3,(H,21,22)
InChIKeyFRMYKCHCXDNGMC-UHFFFAOYSA-N
MW428.76 g/mol
LogP5.57
Rot. Bonds8

About 5-bromo-6-(2-chloro-4-methoxyphenyl)-3-hexan-3-yloxy-N-methylpyrazin-2-amine

5-bromo-6-(2-chloro-4-methoxyphenyl)-3-hexan-3-yloxy-N-methylpyrazin-2-amine (PubChem CID 58804456) has the molecular formula C18H23BrClN3O2 and a molecular weight of 428.76 g/mol. Its IUPAC name is 5-bromo-6-(2-chloro-4-methoxyphenyl)-3-hexan-3-yloxy-N-methylpyrazin-2-amine.

Molecular Properties

Compound Name5-bromo-6-(2-chloro-4-methoxyphenyl)-3-hexan-3-yloxy-N-methylpyrazin-2-amine
PubChem CID58804456
Molecular FormulaC18H23BrClN3O2
Molecular Weight428.76 g/mol
Exact Mass427.07
IUPAC Name5-bromo-6-(2-chloro-4-methoxyphenyl)-3-hexan-3-yloxy-N-methylpyrazin-2-amine
SMILESCCCC(CC)Oc1nc(Br)c(-c2ccc(OC)cc2Cl)nc1NC
InChIInChI=1S/C18H23BrClN3O2/c1-5-7-11(6-2)25-18-17(21-3)22-15(16(19)23-18)13-9-8-12(24-4)10-14(13)20/h8-11H,5-7H2,1-4H3,(H,21,22)
InChIKeyFRMYKCHCXDNGMC-UHFFFAOYSA-N
XLogP5.57
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.76
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-bromo-6-(2-chloro-4-methoxyphenyl)-3-hexan-3-yloxy-N-methylpyrazin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-(2-chloro-4-methoxyphenyl)-3-hexan-3-yloxy-N-methylpyrazin-2-amine?
The IUPAC name of 5-bromo-6-(2-chloro-4-methoxyphenyl)-3-hexan-3-yloxy-N-methylpyrazin-2-amine (CID 58804456) is 5-bromo-6-(2-chloro-4-methoxyphenyl)-3-hexan-3-yloxy-N-methylpyrazin-2-amine.
What is the SMILES notation for 5-bromo-6-(2-chloro-4-methoxyphenyl)-3-hexan-3-yloxy-N-methylpyrazin-2-amine?
The canonical SMILES for 5-bromo-6-(2-chloro-4-methoxyphenyl)-3-hexan-3-yloxy-N-methylpyrazin-2-amine is CCCC(CC)Oc1nc(Br)c(-c2ccc(OC)cc2Cl)nc1NC.
What is the InChIKey of 5-bromo-6-(2-chloro-4-methoxyphenyl)-3-hexan-3-yloxy-N-methylpyrazin-2-amine?
The InChIKey is FRMYKCHCXDNGMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23BrClN3O2/c1-5-7-11(6-2)25-18-17(21-3)22-15(16(19)23-18)13-9-8-12(24-4)10-14(13)20/h8-11H,5-7H2,1-4H3,(H,21,22).
What are the key properties of 5-bromo-6-(2-chloro-4-methoxyphenyl)-3-hexan-3-yloxy-N-methylpyrazin-2-amine?
5-bromo-6-(2-chloro-4-methoxyphenyl)-3-hexan-3-yloxy-N-methylpyrazin-2-amine has a molecular weight of 428.76 g/mol, XLogP of 5.57, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-(2-chloro-4-methoxyphenyl)-3-hexan-3-yloxy-N-methylpyrazin-2-amine is sourced from PubChem (CID 58804456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).