N-[2-(2,4-difluorophenyl)ethyl]-6-methylpyrazin-2-amine

C13H13F2N3 — CID 133471001

IUPACN-[2-(2,4-difluorophenyl)ethyl]-6-methylpyrazin-2-amine
SMILESCc1cncc(NCCc2ccc(F)cc2F)n1
InChIInChI=1S/C13H13F2N3/c1-9-7-16-8-13(18-9)17-5-4-10-2-3-11(14)6-12(10)15/h2-3,6-8H,4-5H2,1H3,(H,17,18)
InChIKeySJFLRXYQENKKFJ-UHFFFAOYSA-N
MW249.26 g/mol
LogP2.72
Rot. Bonds4

About N-[2-(2,4-difluorophenyl)ethyl]-6-methylpyrazin-2-amine

N-[2-(2,4-difluorophenyl)ethyl]-6-methylpyrazin-2-amine (PubChem CID 133471001) has the molecular formula C13H13F2N3 and a molecular weight of 249.26 g/mol. Its IUPAC name is N-[2-(2,4-difluorophenyl)ethyl]-6-methylpyrazin-2-amine.

Molecular Properties

Compound NameN-[2-(2,4-difluorophenyl)ethyl]-6-methylpyrazin-2-amine
PubChem CID133471001
Molecular FormulaC13H13F2N3
Molecular Weight249.26 g/mol
Exact Mass249.11
IUPAC NameN-[2-(2,4-difluorophenyl)ethyl]-6-methylpyrazin-2-amine
SMILESCc1cncc(NCCc2ccc(F)cc2F)n1
InChIInChI=1S/C13H13F2N3/c1-9-7-16-8-13(18-9)17-5-4-10-2-3-11(14)6-12(10)15/h2-3,6-8H,4-5H2,1H3,(H,17,18)
InChIKeySJFLRXYQENKKFJ-UHFFFAOYSA-N
XLogP2.72
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.26
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-bromo-4-fluorophenyl)methyl]-6-methylpyrazin-2-amine
CID 133468470
N-[3-(4-fluorophenoxy)propyl]-6-methylpyrazin-2-amine
CID 133469091
6-chloro-N-[(2,4-difluorophenyl)methyl]pyrazin-2-amine
CID 62047650
6-[2-(2,4-difluorophenyl)ethylamino]pyridine-3-carbonitrile
CID 133302426
N-[1-(2,4-difluorophenyl)propyl]-6-methylpyrazin-2-amine
CID 133471598
N-(3-fluorobutyl)-6-methylpyrazin-2-amine
CID 130835221
6-[2-(2,4-difluorophenyl)ethylamino]-N-propylpyridine-3-carboxamide
CID 133302604
N-(5,5-dimethylhexyl)-6-methylpyrazin-2-amine
CID 133470236
2-N-[2-(2,4-difluorophenyl)ethyl]-4-fluorobenzene-1,2-diamine
CID 115124195
4-N-[2-(4-fluoro-2-methylphenyl)ethyl]-2-methylpyrimidine-4,6-diamine
CID 80852017
N-[4-[2-[(6-methylpyrazin-2-yl)amino]ethyl]phenyl]acetamide
CID 133470212
N-[2-(4-fluoro-2-methylphenyl)ethyl]-6-hydrazinyl-2-methylpyrimidin-4-amine
CID 80926608

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-difluorophenyl)ethyl]-6-methylpyrazin-2-amine?
The IUPAC name of N-[2-(2,4-difluorophenyl)ethyl]-6-methylpyrazin-2-amine (CID 133471001) is N-[2-(2,4-difluorophenyl)ethyl]-6-methylpyrazin-2-amine.
What is the SMILES notation for N-[2-(2,4-difluorophenyl)ethyl]-6-methylpyrazin-2-amine?
The canonical SMILES for N-[2-(2,4-difluorophenyl)ethyl]-6-methylpyrazin-2-amine is Cc1cncc(NCCc2ccc(F)cc2F)n1.
What is the InChIKey of N-[2-(2,4-difluorophenyl)ethyl]-6-methylpyrazin-2-amine?
The InChIKey is SJFLRXYQENKKFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2N3/c1-9-7-16-8-13(18-9)17-5-4-10-2-3-11(14)6-12(10)15/h2-3,6-8H,4-5H2,1H3,(H,17,18).
What are the key properties of N-[2-(2,4-difluorophenyl)ethyl]-6-methylpyrazin-2-amine?
N-[2-(2,4-difluorophenyl)ethyl]-6-methylpyrazin-2-amine has a molecular weight of 249.26 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-difluorophenyl)ethyl]-6-methylpyrazin-2-amine is sourced from PubChem (CID 133471001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).