2-N-[(2-bromophenyl)methyl]pyrazine-2,6-diamine

C11H11BrN4 — CID 78988997

IUPAC2-N-[(2-bromophenyl)methyl]pyrazine-2,6-diamine
SMILESNc1cncc(NCc2ccccc2Br)n1
InChIInChI=1S/C11H11BrN4/c12-9-4-2-1-3-8(9)5-15-11-7-14-6-10(13)16-11/h1-4,6-7H,5H2,(H3,13,15,16)
InChIKeyYPDOYJBDOKSKFH-UHFFFAOYSA-N
MW279.14 g/mol
LogP2.43
Rot. Bonds3

About 2-N-[(2-bromophenyl)methyl]pyrazine-2,6-diamine

2-N-[(2-bromophenyl)methyl]pyrazine-2,6-diamine (PubChem CID 78988997) has the molecular formula C11H11BrN4 and a molecular weight of 279.14 g/mol. Its IUPAC name is 2-N-[(2-bromophenyl)methyl]pyrazine-2,6-diamine.

Molecular Properties

Compound Name2-N-[(2-bromophenyl)methyl]pyrazine-2,6-diamine
PubChem CID78988997
Molecular FormulaC11H11BrN4
Molecular Weight279.14 g/mol
Exact Mass278.02
IUPAC Name2-N-[(2-bromophenyl)methyl]pyrazine-2,6-diamine
SMILESNc1cncc(NCc2ccccc2Br)n1
InChIInChI=1S/C11H11BrN4/c12-9-4-2-1-3-8(9)5-15-11-7-14-6-10(13)16-11/h1-4,6-7H,5H2,(H3,13,15,16)
InChIKeyYPDOYJBDOKSKFH-UHFFFAOYSA-N
XLogP2.43
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.14
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-[[2-(ethoxymethyl)phenyl]methyl]pyrazine-2,6-diamine
CID 78988831
2-N-benzylpyrazine-2,6-diamine
CID 70838336
2-[[(6-bromopyrazin-2-yl)amino]methyl]phenol
CID 53250722
6-bromo-N-[(2-bromophenyl)methyl]pyridin-2-amine
CID 63962154
2-N-[(2-bromophenyl)methyl]pyrimidine-2,4-diamine
CID 116795732
N-[(2-bromophenyl)methyl]-5-methylpyridazin-3-amine
CID 106549621
N-[(2-bromophenyl)methyl]-6-hydrazinyl-2-methylpyrimidin-4-amine
CID 80898933
N-[(2-bromophenyl)methyl]-2-hydrazinylpyrimidin-4-amine
CID 80898932
2-N-ethylpyrazine-2,6-diamine
CID 69290778
4-N-[(2-bromophenyl)methyl]-2-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80794152
2-N-(2-phenylsulfanylethyl)pyrazine-2,6-diamine
CID 78989045
2-N-[(2-ethylphenyl)methyl]-6-N-propylpyrazine-2,6-diamine
CID 80845005

Frequently Asked Questions

What is the IUPAC name of 2-N-[(2-bromophenyl)methyl]pyrazine-2,6-diamine?
The IUPAC name of 2-N-[(2-bromophenyl)methyl]pyrazine-2,6-diamine (CID 78988997) is 2-N-[(2-bromophenyl)methyl]pyrazine-2,6-diamine.
What is the SMILES notation for 2-N-[(2-bromophenyl)methyl]pyrazine-2,6-diamine?
The canonical SMILES for 2-N-[(2-bromophenyl)methyl]pyrazine-2,6-diamine is Nc1cncc(NCc2ccccc2Br)n1.
What is the InChIKey of 2-N-[(2-bromophenyl)methyl]pyrazine-2,6-diamine?
The InChIKey is YPDOYJBDOKSKFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN4/c12-9-4-2-1-3-8(9)5-15-11-7-14-6-10(13)16-11/h1-4,6-7H,5H2,(H3,13,15,16).
What are the key properties of 2-N-[(2-bromophenyl)methyl]pyrazine-2,6-diamine?
2-N-[(2-bromophenyl)methyl]pyrazine-2,6-diamine has a molecular weight of 279.14 g/mol, XLogP of 2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(2-bromophenyl)methyl]pyrazine-2,6-diamine is sourced from PubChem (CID 78988997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).