(5-bromo-2-methylphenyl)-pyrazin-2-ylmethanamine

C12H12BrN3 — CID 115860646

IUPAC(5-bromo-2-methylphenyl)-pyrazin-2-ylmethanamine
SMILESCc1ccc(Br)cc1C(N)c1cnccn1
InChIInChI=1S/C12H12BrN3/c1-8-2-3-9(13)6-10(8)12(14)11-7-15-4-5-16-11/h2-7,12H,14H2,1H3
InChIKeyNJIVXTLCSKETJQ-UHFFFAOYSA-N
MW278.15 g/mol
LogP2.60
Rot. Bonds2

About (5-bromo-2-methylphenyl)-pyrazin-2-ylmethanamine

(5-bromo-2-methylphenyl)-pyrazin-2-ylmethanamine (PubChem CID 115860646) has the molecular formula C12H12BrN3 and a molecular weight of 278.15 g/mol. Its IUPAC name is (5-bromo-2-methylphenyl)-pyrazin-2-ylmethanamine.

Molecular Properties

Compound Name(5-bromo-2-methylphenyl)-pyrazin-2-ylmethanamine
PubChem CID115860646
Molecular FormulaC12H12BrN3
Molecular Weight278.15 g/mol
Exact Mass277.02
IUPAC Name(5-bromo-2-methylphenyl)-pyrazin-2-ylmethanamine
SMILESCc1ccc(Br)cc1C(N)c1cnccn1
InChIInChI=1S/C12H12BrN3/c1-8-2-3-9(13)6-10(8)12(14)11-7-15-4-5-16-11/h2-7,12H,14H2,1H3
InChIKeyNJIVXTLCSKETJQ-UHFFFAOYSA-N
XLogP2.60
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 ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-bromo-2-chlorophenyl)-pyrazin-2-ylmethanamine
CID 115860428
(3-bromo-2-methylphenyl)-pyrazin-2-ylmethanamine
CID 115860529
(2-bromophenyl)-pyrazin-2-ylmethanamine
CID 63970477
(2-bromo-4-fluorophenyl)-pyrazin-2-ylmethanamine
CID 115860579
(3-chloro-4-methylphenyl)-pyrazin-2-ylmethanamine
CID 115860386
(5-bromo-2-methylphenyl)-(1-methylimidazol-2-yl)methanamine
CID 65312123
1-(5-bromo-2-methylphenyl)ethanamine
CID 82647898
(4-methyl-2-pyridinyl)-(4-methyl-3-pyridinyl)methanamine
CID 66271642
(2,5-dimethylphenyl)-(4-methyl-2-pyridinyl)methanamine
CID 63840951
(5-bromo-2-methylphenyl)-(4-bromo-1-methylpyrazol-5-yl)methanamine
CID 105054403
1-(5-bromo-2-methylphenyl)-2-(5-methyl-2-pyridinyl)ethanamine
CID 66446142
[(3-bromo-4-methylphenyl)-pyrazin-2-ylmethyl]hydrazine
CID 105308636

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-methylphenyl)-pyrazin-2-ylmethanamine?
The IUPAC name of (5-bromo-2-methylphenyl)-pyrazin-2-ylmethanamine (CID 115860646) is (5-bromo-2-methylphenyl)-pyrazin-2-ylmethanamine.
What is the SMILES notation for (5-bromo-2-methylphenyl)-pyrazin-2-ylmethanamine?
The canonical SMILES for (5-bromo-2-methylphenyl)-pyrazin-2-ylmethanamine is Cc1ccc(Br)cc1C(N)c1cnccn1.
What is the InChIKey of (5-bromo-2-methylphenyl)-pyrazin-2-ylmethanamine?
The InChIKey is NJIVXTLCSKETJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3/c1-8-2-3-9(13)6-10(8)12(14)11-7-15-4-5-16-11/h2-7,12H,14H2,1H3.
What are the key properties of (5-bromo-2-methylphenyl)-pyrazin-2-ylmethanamine?
(5-bromo-2-methylphenyl)-pyrazin-2-ylmethanamine has a molecular weight of 278.15 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-methylphenyl)-pyrazin-2-ylmethanamine is sourced from PubChem (CID 115860646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).