3-[(4-bromophenyl)methylsulfanyl]pyrazin-2-amine

C11H10BrN3S — CID 106678727

IUPAC3-[(4-bromophenyl)methylsulfanyl]pyrazin-2-amine
SMILESNc1nccnc1SCc1ccc(Br)cc1
InChIInChI=1S/C11H10BrN3S/c12-9-3-1-8(2-4-9)7-16-11-10(13)14-5-6-15-11/h1-6H,7H2,(H2,13,14)
InChIKeyRQOGNPUEPGHJIP-UHFFFAOYSA-N
MW296.19 g/mol
LogP3.11
Rot. Bonds3

About 3-[(4-bromophenyl)methylsulfanyl]pyrazin-2-amine

3-[(4-bromophenyl)methylsulfanyl]pyrazin-2-amine (PubChem CID 106678727) has the molecular formula C11H10BrN3S and a molecular weight of 296.19 g/mol. Its IUPAC name is 3-[(4-bromophenyl)methylsulfanyl]pyrazin-2-amine.

Molecular Properties

Compound Name3-[(4-bromophenyl)methylsulfanyl]pyrazin-2-amine
PubChem CID106678727
Molecular FormulaC11H10BrN3S
Molecular Weight296.19 g/mol
Exact Mass294.98
IUPAC Name3-[(4-bromophenyl)methylsulfanyl]pyrazin-2-amine
SMILESNc1nccnc1SCc1ccc(Br)cc1
InChIInChI=1S/C11H10BrN3S/c12-9-3-1-8(2-4-9)7-16-11-10(13)14-5-6-15-11/h1-6H,7H2,(H2,13,14)
InChIKeyRQOGNPUEPGHJIP-UHFFFAOYSA-N
XLogP3.11
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.19
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[(4-bromophenyl)methylsulfanyl]pyrazin-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

3-[(4-iodophenyl)methylsulfanyl]pyrazin-2-amine
CID 106678528
2-[(4-bromophenyl)methylsulfanyl]pyridin-3-amine
CID 43300797
3-[(4-pyrazol-1-ylphenyl)methylsulfanyl]pyrazin-2-amine
CID 106679198
2-[(4-bromophenyl)methylsulfanyl]pyrimidine
CID 19727890
3-(pyridin-2-ylmethylsulfanyl)pyrazin-2-amine
CID 106679150
4-[(3-aminopyrazin-2-yl)sulfanylmethyl]-7-bromochromen-2-one
CID 106678595
3-(3-aminopropylsulfanyl)pyrazin-2-amine
CID 106678432
3-[[4-(difluoromethoxy)-3-methoxyphenyl]methylsulfanyl]pyrazin-2-amine
CID 106679000
3-[(5-chlorothiophen-2-yl)methylsulfanyl]pyrazin-2-amine
CID 106679263
3-[[2-(trifluoromethyl)phenyl]methylsulfanyl]pyrazin-2-amine
CID 106679214
3-[(1-methylpyrazol-3-yl)methylsulfanyl]pyrazin-2-amine
CID 106679130
3-pent-4-ynylsulfanylpyrazin-2-amine
CID 106678637

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromophenyl)methylsulfanyl]pyrazin-2-amine?
The IUPAC name of 3-[(4-bromophenyl)methylsulfanyl]pyrazin-2-amine (CID 106678727) is 3-[(4-bromophenyl)methylsulfanyl]pyrazin-2-amine.
What is the SMILES notation for 3-[(4-bromophenyl)methylsulfanyl]pyrazin-2-amine?
The canonical SMILES for 3-[(4-bromophenyl)methylsulfanyl]pyrazin-2-amine is Nc1nccnc1SCc1ccc(Br)cc1.
What is the InChIKey of 3-[(4-bromophenyl)methylsulfanyl]pyrazin-2-amine?
The InChIKey is RQOGNPUEPGHJIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN3S/c12-9-3-1-8(2-4-9)7-16-11-10(13)14-5-6-15-11/h1-6H,7H2,(H2,13,14).
What are the key properties of 3-[(4-bromophenyl)methylsulfanyl]pyrazin-2-amine?
3-[(4-bromophenyl)methylsulfanyl]pyrazin-2-amine has a molecular weight of 296.19 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromophenyl)methylsulfanyl]pyrazin-2-amine is sourced from PubChem (CID 106678727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).