3,5-dibromo-6-methyl-N-pentan-3-ylpyrazin-2-amine

C10H15Br2N3 — CID 53310556

IUPAC3,5-dibromo-6-methyl-N-pentan-3-ylpyrazin-2-amine
SMILESCCC(CC)Nc1nc(C)c(Br)nc1Br
InChIInChI=1S/C10H15Br2N3/c1-4-7(5-2)14-10-9(12)15-8(11)6(3)13-10/h7H,4-5H2,1-3H3,(H,13,14)
InChIKeyMTZFQOZPOKWNBT-UHFFFAOYSA-N
MW337.06 g/mol
LogP3.91
Rot. Bonds4

About 3,5-dibromo-6-methyl-N-pentan-3-ylpyrazin-2-amine

3,5-dibromo-6-methyl-N-pentan-3-ylpyrazin-2-amine (PubChem CID 53310556) has the molecular formula C10H15Br2N3 and a molecular weight of 337.06 g/mol. Its IUPAC name is 3,5-dibromo-6-methyl-N-pentan-3-ylpyrazin-2-amine.

Molecular Properties

Compound Name3,5-dibromo-6-methyl-N-pentan-3-ylpyrazin-2-amine
PubChem CID53310556
Molecular FormulaC10H15Br2N3
Molecular Weight337.06 g/mol
Exact Mass334.96
IUPAC Name3,5-dibromo-6-methyl-N-pentan-3-ylpyrazin-2-amine
SMILESCCC(CC)Nc1nc(C)c(Br)nc1Br
InChIInChI=1S/C10H15Br2N3/c1-4-7(5-2)14-10-9(12)15-8(11)6(3)13-10/h7H,4-5H2,1-3H3,(H,13,14)
InChIKeyMTZFQOZPOKWNBT-UHFFFAOYSA-N
XLogP3.91
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.06
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-6-methyl-N-pentan-3-ylpyrazin-2-amine?
The IUPAC name of 3,5-dibromo-6-methyl-N-pentan-3-ylpyrazin-2-amine (CID 53310556) is 3,5-dibromo-6-methyl-N-pentan-3-ylpyrazin-2-amine.
What is the SMILES notation for 3,5-dibromo-6-methyl-N-pentan-3-ylpyrazin-2-amine?
The canonical SMILES for 3,5-dibromo-6-methyl-N-pentan-3-ylpyrazin-2-amine is CCC(CC)Nc1nc(C)c(Br)nc1Br.
What is the InChIKey of 3,5-dibromo-6-methyl-N-pentan-3-ylpyrazin-2-amine?
The InChIKey is MTZFQOZPOKWNBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15Br2N3/c1-4-7(5-2)14-10-9(12)15-8(11)6(3)13-10/h7H,4-5H2,1-3H3,(H,13,14).
What are the key properties of 3,5-dibromo-6-methyl-N-pentan-3-ylpyrazin-2-amine?
3,5-dibromo-6-methyl-N-pentan-3-ylpyrazin-2-amine has a molecular weight of 337.06 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-6-methyl-N-pentan-3-ylpyrazin-2-amine is sourced from PubChem (CID 53310556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).