N-[(5-bromo-2-fluorophenyl)methyl]-N,6-dimethylpyrazin-2-amine

C13H13BrFN3 — CID 133469076

IUPACN-[(5-bromo-2-fluorophenyl)methyl]-N,6-dimethylpyrazin-2-amine
SMILESCc1cncc(N(C)Cc2cc(Br)ccc2F)n1
InChIInChI=1S/C13H13BrFN3/c1-9-6-16-7-13(17-9)18(2)8-10-5-11(14)3-4-12(10)15/h3-7H,8H2,1-2H3
InChIKeyZGCLSIKNDLCSOW-UHFFFAOYSA-N
MW310.17 g/mol
LogP3.32
Rot. Bonds3

About N-[(5-bromo-2-fluorophenyl)methyl]-N,6-dimethylpyrazin-2-amine

N-[(5-bromo-2-fluorophenyl)methyl]-N,6-dimethylpyrazin-2-amine (PubChem CID 133469076) has the molecular formula C13H13BrFN3 and a molecular weight of 310.17 g/mol. Its IUPAC name is N-[(5-bromo-2-fluorophenyl)methyl]-N,6-dimethylpyrazin-2-amine.

Molecular Properties

Compound NameN-[(5-bromo-2-fluorophenyl)methyl]-N,6-dimethylpyrazin-2-amine
PubChem CID133469076
Molecular FormulaC13H13BrFN3
Molecular Weight310.17 g/mol
Exact Mass309.03
IUPAC NameN-[(5-bromo-2-fluorophenyl)methyl]-N,6-dimethylpyrazin-2-amine
SMILESCc1cncc(N(C)Cc2cc(Br)ccc2F)n1
InChIInChI=1S/C13H13BrFN3/c1-9-6-16-7-13(17-9)18(2)8-10-5-11(14)3-4-12(10)15/h3-7H,8H2,1-2H3
InChIKeyZGCLSIKNDLCSOW-UHFFFAOYSA-N
XLogP3.32
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.17
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-N,6-dimethylpyrazin-2-amine?
The IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-N,6-dimethylpyrazin-2-amine (CID 133469076) is N-[(5-bromo-2-fluorophenyl)methyl]-N,6-dimethylpyrazin-2-amine.
What is the SMILES notation for N-[(5-bromo-2-fluorophenyl)methyl]-N,6-dimethylpyrazin-2-amine?
The canonical SMILES for N-[(5-bromo-2-fluorophenyl)methyl]-N,6-dimethylpyrazin-2-amine is Cc1cncc(N(C)Cc2cc(Br)ccc2F)n1.
What is the InChIKey of N-[(5-bromo-2-fluorophenyl)methyl]-N,6-dimethylpyrazin-2-amine?
The InChIKey is ZGCLSIKNDLCSOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrFN3/c1-9-6-16-7-13(17-9)18(2)8-10-5-11(14)3-4-12(10)15/h3-7H,8H2,1-2H3.
What are the key properties of N-[(5-bromo-2-fluorophenyl)methyl]-N,6-dimethylpyrazin-2-amine?
N-[(5-bromo-2-fluorophenyl)methyl]-N,6-dimethylpyrazin-2-amine has a molecular weight of 310.17 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-fluorophenyl)methyl]-N,6-dimethylpyrazin-2-amine is sourced from PubChem (CID 133469076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).