1-(4-bromo-2-pyrazin-2-ylsulfanylphenyl)-N-methylmethanamine

C12H12BrN3S — CID 63809878

IUPAC1-(4-bromo-2-pyrazin-2-ylsulfanylphenyl)-N-methylmethanamine
SMILESCNCc1ccc(Br)cc1Sc1cnccn1
InChIInChI=1S/C12H12BrN3S/c1-14-7-9-2-3-10(13)6-11(9)17-12-8-15-4-5-16-12/h2-6,8,14H,7H2,1H3
InChIKeyYWKIQKMKBBUVTM-UHFFFAOYSA-N
MW310.22 g/mol
LogP3.11
Rot. Bonds4

About 1-(4-bromo-2-pyrazin-2-ylsulfanylphenyl)-N-methylmethanamine

1-(4-bromo-2-pyrazin-2-ylsulfanylphenyl)-N-methylmethanamine (PubChem CID 63809878) has the molecular formula C12H12BrN3S and a molecular weight of 310.22 g/mol. Its IUPAC name is 1-(4-bromo-2-pyrazin-2-ylsulfanylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-bromo-2-pyrazin-2-ylsulfanylphenyl)-N-methylmethanamine
PubChem CID63809878
Molecular FormulaC12H12BrN3S
Molecular Weight310.22 g/mol
Exact Mass308.99
IUPAC Name1-(4-bromo-2-pyrazin-2-ylsulfanylphenyl)-N-methylmethanamine
SMILESCNCc1ccc(Br)cc1Sc1cnccn1
InChIInChI=1S/C12H12BrN3S/c1-14-7-9-2-3-10(13)6-11(9)17-12-8-15-4-5-16-12/h2-6,8,14H,7H2,1H3
InChIKeyYWKIQKMKBBUVTM-UHFFFAOYSA-N
XLogP3.11
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.22
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4-bromo-2-pyrazin-2-ylsulfanylphenyl)-N-methylmethanamine 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

1-(4-bromo-2-phenylsulfanylphenyl)-N-methylmethanamine
CID 63805212
1-[4-bromo-2-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-N-methylmethanamine
CID 63809493
N-[(4-bromo-2-pyridin-2-ylsulfanylphenyl)methyl]-2-methylpropan-2-amine
CID 63806322
1-(4-bromo-2-ethylsulfanylphenyl)-N-methylmethanamine
CID 63805885
1-[4-bromo-2-(2,4-difluorophenyl)sulfanylphenyl]-N-methylmethanamine
CID 63809929
1-[4-bromo-2-(3-methylbutan-2-ylsulfanyl)phenyl]-N-methylmethanamine
CID 107761626
1-(4-chloro-2-pyrazin-2-ylsulfanylphenyl)propan-2-amine
CID 114866356
5-bromo-N'-hydroxy-2-pyrazin-2-ylsulfanylbenzenecarboximidamide
CID 137004433
N-[(5-fluoro-2-pyrazin-2-ylsulfanylphenyl)methyl]-2-methylpropan-1-amine
CID 63809715
N-[[4-bromo-2-(5-methylpyrimidin-2-yl)sulfanylphenyl]methyl]ethanamine
CID 63813198
1-(4-bromo-2-pentylsulfanylphenyl)-N-methylmethanamine
CID 107761489
N-[(5-chloro-2-pyrazin-2-ylsulfanylphenyl)methyl]-2-methylpropan-1-amine
CID 114864659

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-pyrazin-2-ylsulfanylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(4-bromo-2-pyrazin-2-ylsulfanylphenyl)-N-methylmethanamine (CID 63809878) is 1-(4-bromo-2-pyrazin-2-ylsulfanylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-bromo-2-pyrazin-2-ylsulfanylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(4-bromo-2-pyrazin-2-ylsulfanylphenyl)-N-methylmethanamine is CNCc1ccc(Br)cc1Sc1cnccn1.
What is the InChIKey of 1-(4-bromo-2-pyrazin-2-ylsulfanylphenyl)-N-methylmethanamine?
The InChIKey is YWKIQKMKBBUVTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3S/c1-14-7-9-2-3-10(13)6-11(9)17-12-8-15-4-5-16-12/h2-6,8,14H,7H2,1H3.
What are the key properties of 1-(4-bromo-2-pyrazin-2-ylsulfanylphenyl)-N-methylmethanamine?
1-(4-bromo-2-pyrazin-2-ylsulfanylphenyl)-N-methylmethanamine has a molecular weight of 310.22 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-pyrazin-2-ylsulfanylphenyl)-N-methylmethanamine is sourced from PubChem (CID 63809878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).