5-bromo-3-[(3-methylphenyl)methyl]pyrazin-2-amine

C12H12BrN3 — CID 146404032

IUPAC5-bromo-3-[(3-methylphenyl)methyl]pyrazin-2-amine
SMILESCc1cccc(Cc2nc(Br)cnc2N)c1
InChIInChI=1S/C12H12BrN3/c1-8-3-2-4-9(5-8)6-10-12(14)15-7-11(13)16-10/h2-5,7H,6H2,1H3,(H2,14,15)
InChIKeyCSQJXMZKPCNMCJ-UHFFFAOYSA-N
MW278.15 g/mol
LogP2.72
Rot. Bonds2

About 5-bromo-3-[(3-methylphenyl)methyl]pyrazin-2-amine

5-bromo-3-[(3-methylphenyl)methyl]pyrazin-2-amine (PubChem CID 146404032) has the molecular formula C12H12BrN3 and a molecular weight of 278.15 g/mol. Its IUPAC name is 5-bromo-3-[(3-methylphenyl)methyl]pyrazin-2-amine.

Molecular Properties

Compound Name5-bromo-3-[(3-methylphenyl)methyl]pyrazin-2-amine
PubChem CID146404032
Molecular FormulaC12H12BrN3
Molecular Weight278.15 g/mol
Exact Mass277.02
IUPAC Name5-bromo-3-[(3-methylphenyl)methyl]pyrazin-2-amine
SMILESCc1cccc(Cc2nc(Br)cnc2N)c1
InChIInChI=1S/C12H12BrN3/c1-8-3-2-4-9(5-8)6-10-12(14)15-7-11(13)16-10/h2-5,7H,6H2,1H3,(H2,14,15)
InChIKeyCSQJXMZKPCNMCJ-UHFFFAOYSA-N
XLogP2.72
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.15
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-benzyl-5-[2-(3-methylphenyl)ethynyl]pyrazin-2-amine
CID 132934138
4-[(3-methylphenyl)methyl]pyridine-2,3,6-triamine
CID 140918296
1-bromo-4-[(3-methylphenyl)methyl]benzene
CID 67156138
6-ethyl-5-iodo-2-[(3-methylphenyl)methyl]pyrimidin-4-amine
CID 66299080
1-tert-butyl-3-[(3-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 24865390
2-[2-(3-methylphenyl)ethyl]pyridin-3-amine
CID 112716961
5-bromo-N-ethyl-2-[(3-methylphenyl)methyl]pyrimidin-4-amine
CID 66303082
5-iodo-2-[(3-methylphenyl)methyl]-6-propylpyrimidin-4-amine
CID 66304585
[2-[(3-methylphenyl)methyl]pyrimidin-5-yl]methanol
CID 62757531
4-[4-[(3-methylphenyl)methyl]phenyl]-1H-pyrazol-5-amine
CID 22408196
2-amino-6-[(3-methylphenyl)methyl]-1H-1,3,5-triazine-4-thione
CID 83240427
N-methyl-1-[2-[(3-methylphenyl)methyl]pyrimidin-5-yl]methanamine
CID 62757123

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[(3-methylphenyl)methyl]pyrazin-2-amine?
The IUPAC name of 5-bromo-3-[(3-methylphenyl)methyl]pyrazin-2-amine (CID 146404032) is 5-bromo-3-[(3-methylphenyl)methyl]pyrazin-2-amine.
What is the SMILES notation for 5-bromo-3-[(3-methylphenyl)methyl]pyrazin-2-amine?
The canonical SMILES for 5-bromo-3-[(3-methylphenyl)methyl]pyrazin-2-amine is Cc1cccc(Cc2nc(Br)cnc2N)c1.
What is the InChIKey of 5-bromo-3-[(3-methylphenyl)methyl]pyrazin-2-amine?
The InChIKey is CSQJXMZKPCNMCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3/c1-8-3-2-4-9(5-8)6-10-12(14)15-7-11(13)16-10/h2-5,7H,6H2,1H3,(H2,14,15).
What are the key properties of 5-bromo-3-[(3-methylphenyl)methyl]pyrazin-2-amine?
5-bromo-3-[(3-methylphenyl)methyl]pyrazin-2-amine has a molecular weight of 278.15 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[(3-methylphenyl)methyl]pyrazin-2-amine is sourced from PubChem (CID 146404032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).