2-N-[1-(3-bromophenyl)ethyl]pyrazine-2,6-diamine

C12H13BrN4 — CID 78988750

IUPAC2-N-[1-(3-bromophenyl)ethyl]pyrazine-2,6-diamine
SMILESCC(Nc1cncc(N)n1)c1cccc(Br)c1
InChIInChI=1S/C12H13BrN4/c1-8(9-3-2-4-10(13)5-9)16-12-7-15-6-11(14)17-12/h2-8H,1H3,(H3,14,16,17)
InChIKeySURNKYUGAFZVHZ-UHFFFAOYSA-N
MW293.17 g/mol
LogP2.99
Rot. Bonds3

About 2-N-[1-(3-bromophenyl)ethyl]pyrazine-2,6-diamine

2-N-[1-(3-bromophenyl)ethyl]pyrazine-2,6-diamine (PubChem CID 78988750) has the molecular formula C12H13BrN4 and a molecular weight of 293.17 g/mol. Its IUPAC name is 2-N-[1-(3-bromophenyl)ethyl]pyrazine-2,6-diamine.

Molecular Properties

Compound Name2-N-[1-(3-bromophenyl)ethyl]pyrazine-2,6-diamine
PubChem CID78988750
Molecular FormulaC12H13BrN4
Molecular Weight293.17 g/mol
Exact Mass292.03
IUPAC Name2-N-[1-(3-bromophenyl)ethyl]pyrazine-2,6-diamine
SMILESCC(Nc1cncc(N)n1)c1cccc(Br)c1
InChIInChI=1S/C12H13BrN4/c1-8(9-3-2-4-10(13)5-9)16-12-7-15-6-11(14)17-12/h2-8H,1H3,(H3,14,16,17)
InChIKeySURNKYUGAFZVHZ-UHFFFAOYSA-N
XLogP2.99
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.17
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3-bromophenyl)ethyl]-6-hydrazinylpyrazin-2-amine
CID 80905386
2-N-(1-phenylethyl)pyrazine-2,6-diamine
CID 78988844
4-N-[1-(3-bromophenyl)ethyl]-6-N-ethylpyrimidine-2,4,6-triamine
CID 80807102
4-N-[1-(3-bromophenyl)ethyl]pyrimidine-4,5-diamine
CID 79917140
4-N-[1-(3-bromophenyl)ethyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564530
N-[1-(3-bromophenyl)ethyl]pyridin-2-amine
CID 60969828
5-bromo-N-[1-(3-bromophenyl)ethyl]-4-methylpyridin-2-amine
CID 114869184
2-N-benzhydrylpyrazine-2,6-diamine
CID 78988884
4-N-[1-(3-bromophenyl)ethyl]-6-N-methylpyrimidine-4,6-diamine
CID 80808089
2-N-[1-(3-bromophenyl)ethyl]-3-methylpyridine-2,5-diamine
CID 62475884
4-N-[1-(3-bromophenyl)ethyl]-2,5-dimethylpyrimidine-4,6-diamine
CID 80807914
6-[1-(3-bromophenyl)ethylamino]pyridazine-3-carboxamide
CID 79099168

Frequently Asked Questions

What is the IUPAC name of 2-N-[1-(3-bromophenyl)ethyl]pyrazine-2,6-diamine?
The IUPAC name of 2-N-[1-(3-bromophenyl)ethyl]pyrazine-2,6-diamine (CID 78988750) is 2-N-[1-(3-bromophenyl)ethyl]pyrazine-2,6-diamine.
What is the SMILES notation for 2-N-[1-(3-bromophenyl)ethyl]pyrazine-2,6-diamine?
The canonical SMILES for 2-N-[1-(3-bromophenyl)ethyl]pyrazine-2,6-diamine is CC(Nc1cncc(N)n1)c1cccc(Br)c1.
What is the InChIKey of 2-N-[1-(3-bromophenyl)ethyl]pyrazine-2,6-diamine?
The InChIKey is SURNKYUGAFZVHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN4/c1-8(9-3-2-4-10(13)5-9)16-12-7-15-6-11(14)17-12/h2-8H,1H3,(H3,14,16,17).
What are the key properties of 2-N-[1-(3-bromophenyl)ethyl]pyrazine-2,6-diamine?
2-N-[1-(3-bromophenyl)ethyl]pyrazine-2,6-diamine has a molecular weight of 293.17 g/mol, XLogP of 2.99, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[1-(3-bromophenyl)ethyl]pyrazine-2,6-diamine is sourced from PubChem (CID 78988750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).