N-[(2-bromo-4-fluorophenyl)methyl]-6-methylpyrazin-2-amine

C12H11BrFN3 — CID 133468470

IUPACN-[(2-bromo-4-fluorophenyl)methyl]-6-methylpyrazin-2-amine
SMILESCc1cncc(NCc2ccc(F)cc2Br)n1
InChIInChI=1S/C12H11BrFN3/c1-8-5-15-7-12(17-8)16-6-9-2-3-10(14)4-11(9)13/h2-5,7H,6H2,1H3,(H,16,17)
InChIKeyLABOBXGMJSREAQ-UHFFFAOYSA-N
MW296.14 g/mol
LogP3.30
Rot. Bonds3

About N-[(2-bromo-4-fluorophenyl)methyl]-6-methylpyrazin-2-amine

N-[(2-bromo-4-fluorophenyl)methyl]-6-methylpyrazin-2-amine (PubChem CID 133468470) has the molecular formula C12H11BrFN3 and a molecular weight of 296.14 g/mol. Its IUPAC name is N-[(2-bromo-4-fluorophenyl)methyl]-6-methylpyrazin-2-amine.

Molecular Properties

Compound NameN-[(2-bromo-4-fluorophenyl)methyl]-6-methylpyrazin-2-amine
PubChem CID133468470
Molecular FormulaC12H11BrFN3
Molecular Weight296.14 g/mol
Exact Mass295.01
IUPAC NameN-[(2-bromo-4-fluorophenyl)methyl]-6-methylpyrazin-2-amine
SMILESCc1cncc(NCc2ccc(F)cc2Br)n1
InChIInChI=1S/C12H11BrFN3/c1-8-5-15-7-12(17-8)16-6-9-2-3-10(14)4-11(9)13/h2-5,7H,6H2,1H3,(H,16,17)
InChIKeyLABOBXGMJSREAQ-UHFFFAOYSA-N
XLogP3.30
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.14
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2,4-difluorophenyl)ethyl]-6-methylpyrazin-2-amine
CID 133471001
6-chloro-N-[(2,4-difluorophenyl)methyl]pyrazin-2-amine
CID 62047650
6-bromo-N-[(2-bromo-4-fluorophenyl)methyl]-5-methylpyridin-3-amine
CID 114059939
N-[(2-bromo-4-fluorophenyl)methyl]-4-fluoro-3-methylaniline
CID 55196577
1-(2-bromo-4-fluorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine
CID 62848282
4-bromo-N-[(2-bromo-4-fluorophenyl)methyl]-2,6-difluoroaniline
CID 65469956
N-[(2-bromo-4-fluorophenyl)methyl]-2-methylaniline
CID 28585998
N-[(2-bromo-4-fluorophenyl)methyl]-3-methoxyaniline
CID 28585613
4-bromo-N-[(2-bromo-4-fluorophenyl)methyl]-3-fluoroaniline
CID 65437532
6-bromo-N-[(2-bromo-5-fluorophenyl)methyl]-2-methylpyrimidin-4-amine
CID 106193594
N-[3-(4-fluorophenoxy)propyl]-6-methylpyrazin-2-amine
CID 133469091
6-bromo-N-[(3-fluorophenyl)methyl]pyrazin-2-amine
CID 90412213

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-4-fluorophenyl)methyl]-6-methylpyrazin-2-amine?
The IUPAC name of N-[(2-bromo-4-fluorophenyl)methyl]-6-methylpyrazin-2-amine (CID 133468470) is N-[(2-bromo-4-fluorophenyl)methyl]-6-methylpyrazin-2-amine.
What is the SMILES notation for N-[(2-bromo-4-fluorophenyl)methyl]-6-methylpyrazin-2-amine?
The canonical SMILES for N-[(2-bromo-4-fluorophenyl)methyl]-6-methylpyrazin-2-amine is Cc1cncc(NCc2ccc(F)cc2Br)n1.
What is the InChIKey of N-[(2-bromo-4-fluorophenyl)methyl]-6-methylpyrazin-2-amine?
The InChIKey is LABOBXGMJSREAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrFN3/c1-8-5-15-7-12(17-8)16-6-9-2-3-10(14)4-11(9)13/h2-5,7H,6H2,1H3,(H,16,17).
What are the key properties of N-[(2-bromo-4-fluorophenyl)methyl]-6-methylpyrazin-2-amine?
N-[(2-bromo-4-fluorophenyl)methyl]-6-methylpyrazin-2-amine has a molecular weight of 296.14 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-4-fluorophenyl)methyl]-6-methylpyrazin-2-amine is sourced from PubChem (CID 133468470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).