N-(3-bromo-5-methoxyphenyl)-3-chloropyrazin-2-amine

C11H9BrClN3O — CID 82860927

IUPACN-(3-bromo-5-methoxyphenyl)-3-chloropyrazin-2-amine
SMILESCOc1cc(Br)cc(Nc2nccnc2Cl)c1
InChIInChI=1S/C11H9BrClN3O/c1-17-9-5-7(12)4-8(6-9)16-11-10(13)14-2-3-15-11/h2-6H,1H3,(H,15,16)
InChIKeyPRZLDBZREPPJFR-UHFFFAOYSA-N
MW314.57 g/mol
LogP3.64
Rot. Bonds3

About N-(3-bromo-5-methoxyphenyl)-3-chloropyrazin-2-amine

N-(3-bromo-5-methoxyphenyl)-3-chloropyrazin-2-amine (PubChem CID 82860927) has the molecular formula C11H9BrClN3O and a molecular weight of 314.57 g/mol. Its IUPAC name is N-(3-bromo-5-methoxyphenyl)-3-chloropyrazin-2-amine.

Molecular Properties

Compound NameN-(3-bromo-5-methoxyphenyl)-3-chloropyrazin-2-amine
PubChem CID82860927
Molecular FormulaC11H9BrClN3O
Molecular Weight314.57 g/mol
Exact Mass312.96
IUPAC NameN-(3-bromo-5-methoxyphenyl)-3-chloropyrazin-2-amine
SMILESCOc1cc(Br)cc(Nc2nccnc2Cl)c1
InChIInChI=1S/C11H9BrClN3O/c1-17-9-5-7(12)4-8(6-9)16-11-10(13)14-2-3-15-11/h2-6H,1H3,(H,15,16)
InChIKeyPRZLDBZREPPJFR-UHFFFAOYSA-N
XLogP3.64
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.57
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3-bromo-5-methoxyphenyl)-3-chloropyrazin-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 N-(3-bromo-5-methoxyphenyl)-3-chloropyrazin-2-amine?
The IUPAC name of N-(3-bromo-5-methoxyphenyl)-3-chloropyrazin-2-amine (CID 82860927) is N-(3-bromo-5-methoxyphenyl)-3-chloropyrazin-2-amine.
What is the SMILES notation for N-(3-bromo-5-methoxyphenyl)-3-chloropyrazin-2-amine?
The canonical SMILES for N-(3-bromo-5-methoxyphenyl)-3-chloropyrazin-2-amine is COc1cc(Br)cc(Nc2nccnc2Cl)c1.
What is the InChIKey of N-(3-bromo-5-methoxyphenyl)-3-chloropyrazin-2-amine?
The InChIKey is PRZLDBZREPPJFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrClN3O/c1-17-9-5-7(12)4-8(6-9)16-11-10(13)14-2-3-15-11/h2-6H,1H3,(H,15,16).
What are the key properties of N-(3-bromo-5-methoxyphenyl)-3-chloropyrazin-2-amine?
N-(3-bromo-5-methoxyphenyl)-3-chloropyrazin-2-amine has a molecular weight of 314.57 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-5-methoxyphenyl)-3-chloropyrazin-2-amine is sourced from PubChem (CID 82860927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).