2-bromo-6-methylpyrazine;N'-(6-methylpyrazin-2-yl)ethane-1,2-diamine

C12H17BrN6 — CID 158688817

IUPAC2-bromo-6-methylpyrazine;N'-(6-methylpyrazin-2-yl)ethane-1,2-diamine
SMILESCc1cncc(Br)n1.Cc1cncc(NCCN)n1
InChIInChI=1S/C7H12N4.C5H5BrN2/c1-6-4-9-5-7(11-6)10-3-2-8;1-4-2-7-3-5(6)8-4/h4-5H,2-3,8H2,1H3,(H,10,11);2-3H,1H3
InChIKeyIGBSWRUMAMBOBP-UHFFFAOYSA-N
MW325.21 g/mol
LogP1.70
Rot. Bonds3

About 2-bromo-6-methylpyrazine;N'-(6-methylpyrazin-2-yl)ethane-1,2-diamine

2-bromo-6-methylpyrazine;N'-(6-methylpyrazin-2-yl)ethane-1,2-diamine (PubChem CID 158688817) has the molecular formula C12H17BrN6 and a molecular weight of 325.21 g/mol. Its IUPAC name is 2-bromo-6-methylpyrazine;N'-(6-methylpyrazin-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound Name2-bromo-6-methylpyrazine;N'-(6-methylpyrazin-2-yl)ethane-1,2-diamine
PubChem CID158688817
Molecular FormulaC12H17BrN6
Molecular Weight325.21 g/mol
Exact Mass324.07
IUPAC Name2-bromo-6-methylpyrazine;N'-(6-methylpyrazin-2-yl)ethane-1,2-diamine
SMILESCc1cncc(Br)n1.Cc1cncc(NCCN)n1
InChIInChI=1S/C7H12N4.C5H5BrN2/c1-6-4-9-5-7(11-6)10-3-2-8;1-4-2-7-3-5(6)8-4/h4-5H,2-3,8H2,1H3,(H,10,11);2-3H,1H3
InChIKeyIGBSWRUMAMBOBP-UHFFFAOYSA-N
XLogP1.70
TPSA89.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.21
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-methylpyrazine;N'-(6-methylpyrazin-2-yl)ethane-1,2-diamine?
The IUPAC name of 2-bromo-6-methylpyrazine;N'-(6-methylpyrazin-2-yl)ethane-1,2-diamine (CID 158688817) is 2-bromo-6-methylpyrazine;N'-(6-methylpyrazin-2-yl)ethane-1,2-diamine.
What is the SMILES notation for 2-bromo-6-methylpyrazine;N'-(6-methylpyrazin-2-yl)ethane-1,2-diamine?
The canonical SMILES for 2-bromo-6-methylpyrazine;N'-(6-methylpyrazin-2-yl)ethane-1,2-diamine is Cc1cncc(Br)n1.Cc1cncc(NCCN)n1.
What is the InChIKey of 2-bromo-6-methylpyrazine;N'-(6-methylpyrazin-2-yl)ethane-1,2-diamine?
The InChIKey is IGBSWRUMAMBOBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4.C5H5BrN2/c1-6-4-9-5-7(11-6)10-3-2-8;1-4-2-7-3-5(6)8-4/h4-5H,2-3,8H2,1H3,(H,10,11);2-3H,1H3.
What are the key properties of 2-bromo-6-methylpyrazine;N'-(6-methylpyrazin-2-yl)ethane-1,2-diamine?
2-bromo-6-methylpyrazine;N'-(6-methylpyrazin-2-yl)ethane-1,2-diamine has a molecular weight of 325.21 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-methylpyrazine;N'-(6-methylpyrazin-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 158688817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).