N-[(3-bromophenyl)methyl]-6-(chloromethyl)-N-methylpyrazin-2-amine

C13H13BrClN3 — CID 66465956

IUPACN-[(3-bromophenyl)methyl]-6-(chloromethyl)-N-methylpyrazin-2-amine
SMILESCN(Cc1cccc(Br)c1)c1cncc(CCl)n1
InChIInChI=1S/C13H13BrClN3/c1-18(9-10-3-2-4-11(14)5-10)13-8-16-7-12(6-15)17-13/h2-5,7-8H,6,9H2,1H3
InChIKeyCACDJVWLHHPKJK-UHFFFAOYSA-N
MW326.63 g/mol
LogP3.61
Rot. Bonds4

About N-[(3-bromophenyl)methyl]-6-(chloromethyl)-N-methylpyrazin-2-amine

N-[(3-bromophenyl)methyl]-6-(chloromethyl)-N-methylpyrazin-2-amine (PubChem CID 66465956) has the molecular formula C13H13BrClN3 and a molecular weight of 326.63 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-6-(chloromethyl)-N-methylpyrazin-2-amine.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-6-(chloromethyl)-N-methylpyrazin-2-amine
PubChem CID66465956
Molecular FormulaC13H13BrClN3
Molecular Weight326.63 g/mol
Exact Mass325.00
IUPAC NameN-[(3-bromophenyl)methyl]-6-(chloromethyl)-N-methylpyrazin-2-amine
SMILESCN(Cc1cccc(Br)c1)c1cncc(CCl)n1
InChIInChI=1S/C13H13BrClN3/c1-18(9-10-3-2-4-11(14)5-10)13-8-16-7-12(6-15)17-13/h2-5,7-8H,6,9H2,1H3
InChIKeyCACDJVWLHHPKJK-UHFFFAOYSA-N
XLogP3.61
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.63
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(3-bromophenyl)methyl]-6-(chloromethyl)-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

Related Compounds

6-(chloromethyl)-N-[(3-chlorophenyl)methyl]-N-methylpyrazin-2-amine
CID 66465731
N-[(3-bromophenyl)methyl]-N-methyl-6-(propylaminomethyl)pyrazin-2-amine
CID 66449274
6-(chloromethyl)-N-methyl-N-(pyridin-3-ylmethyl)pyrazin-2-amine
CID 66467781
6-(chloromethyl)-N-methyl-N-(pyridin-4-ylmethyl)pyrazin-2-amine
CID 66468007
6-(chloromethyl)-N-[(4-methoxyphenyl)methyl]-N-methylpyrazin-2-amine
CID 66466186
6-(chloromethyl)-N-[(2-chlorophenyl)methyl]-N-methylpyrazin-2-amine
CID 66465732
2-N-[(3-bromophenyl)methyl]-2-N,4-dimethylpyridine-2,5-diamine
CID 79173849
N-[(3-bromophenyl)methyl]-5-(chloromethyl)-N,2-dimethylpyrimidin-4-amine
CID 114215414
6-(chloromethyl)-N-[(3-chlorophenyl)methyl]-N-methylpyridin-2-amine
CID 62255532
[6-[benzyl(methyl)amino]pyrazin-2-yl]methanol
CID 66466595
6-chloro-N-methyl-N-[(3-methylphenyl)methyl]pyrazin-2-amine
CID 54979220
1-(3-bromophenyl)-N-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-N-methylmethanamine
CID 61416017

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-6-(chloromethyl)-N-methylpyrazin-2-amine?
The IUPAC name of N-[(3-bromophenyl)methyl]-6-(chloromethyl)-N-methylpyrazin-2-amine (CID 66465956) is N-[(3-bromophenyl)methyl]-6-(chloromethyl)-N-methylpyrazin-2-amine.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-6-(chloromethyl)-N-methylpyrazin-2-amine?
The canonical SMILES for N-[(3-bromophenyl)methyl]-6-(chloromethyl)-N-methylpyrazin-2-amine is CN(Cc1cccc(Br)c1)c1cncc(CCl)n1.
What is the InChIKey of N-[(3-bromophenyl)methyl]-6-(chloromethyl)-N-methylpyrazin-2-amine?
The InChIKey is CACDJVWLHHPKJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrClN3/c1-18(9-10-3-2-4-11(14)5-10)13-8-16-7-12(6-15)17-13/h2-5,7-8H,6,9H2,1H3.
What are the key properties of N-[(3-bromophenyl)methyl]-6-(chloromethyl)-N-methylpyrazin-2-amine?
N-[(3-bromophenyl)methyl]-6-(chloromethyl)-N-methylpyrazin-2-amine has a molecular weight of 326.63 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methyl]-6-(chloromethyl)-N-methylpyrazin-2-amine is sourced from PubChem (CID 66465956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).