5-[(2,5-difluorophenyl)sulfanylmethyl]-N-ethylpyrazin-2-amine

C13H13F2N3S — CID 103059924

IUPAC5-[(2,5-difluorophenyl)sulfanylmethyl]-N-ethylpyrazin-2-amine
SMILESCCNc1cnc(CSc2cc(F)ccc2F)cn1
InChIInChI=1S/C13H13F2N3S/c1-2-16-13-7-17-10(6-18-13)8-19-12-5-9(14)3-4-11(12)15/h3-7H,2,8H2,1H3,(H,16,18)
InChIKeyZDLGDLNFYKQHSO-UHFFFAOYSA-N
MW281.33 g/mol
LogP3.48
Rot. Bonds5

About 5-[(2,5-difluorophenyl)sulfanylmethyl]-N-ethylpyrazin-2-amine

5-[(2,5-difluorophenyl)sulfanylmethyl]-N-ethylpyrazin-2-amine (PubChem CID 103059924) has the molecular formula C13H13F2N3S and a molecular weight of 281.33 g/mol. Its IUPAC name is 5-[(2,5-difluorophenyl)sulfanylmethyl]-N-ethylpyrazin-2-amine.

Molecular Properties

Compound Name5-[(2,5-difluorophenyl)sulfanylmethyl]-N-ethylpyrazin-2-amine
PubChem CID103059924
Molecular FormulaC13H13F2N3S
Molecular Weight281.33 g/mol
Exact Mass281.08
IUPAC Name5-[(2,5-difluorophenyl)sulfanylmethyl]-N-ethylpyrazin-2-amine
SMILESCCNc1cnc(CSc2cc(F)ccc2F)cn1
InChIInChI=1S/C13H13F2N3S/c1-2-16-13-7-17-10(6-18-13)8-19-12-5-9(14)3-4-11(12)15/h3-7H,2,8H2,1H3,(H,16,18)
InChIKeyZDLGDLNFYKQHSO-UHFFFAOYSA-N
XLogP3.48
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2,5-difluorophenyl)sulfanylmethyl]-N-methylpyrazin-2-amine
CID 103059921
N-ethyl-5-[(2-nitrophenyl)sulfanylmethyl]pyrazin-2-amine
CID 103059899
2-[(2,5-difluorophenyl)sulfanylmethyl]-N-methylpyridin-4-amine
CID 79260165
5-[(2-bromo-5-fluorophenoxy)methyl]-N-ethylpyrazin-2-amine
CID 103059297
N-ethyl-5-[(4-methylpyrimidin-2-yl)sulfanylmethyl]pyrazin-2-amine
CID 103060079
5-(2,3-dihydro-1H-inden-5-ylsulfanylmethyl)-N-ethylpyrazin-2-amine
CID 103059867
N-ethyl-5-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyrazin-2-amine
CID 103060394
N-ethyl-5-[(2-fluorophenyl)methoxymethyl]pyrazin-2-amine
CID 103059095
6-(2,5-difluorophenyl)sulfanyl-N-ethyl-2-methylsulfanylpyrimidin-4-amine
CID 80884881
[4-[(2,5-difluorophenyl)sulfanylmethyl]-2-pyridinyl]hydrazine
CID 62464533
5-(diethylaminomethyl)-N-ethylpyrazin-2-amine
CID 103055417
N-[(2,5-difluorophenyl)methyl]-5-(ethylamino)pyrazine-2-carboxamide
CID 107375724

Frequently Asked Questions

What is the IUPAC name of 5-[(2,5-difluorophenyl)sulfanylmethyl]-N-ethylpyrazin-2-amine?
The IUPAC name of 5-[(2,5-difluorophenyl)sulfanylmethyl]-N-ethylpyrazin-2-amine (CID 103059924) is 5-[(2,5-difluorophenyl)sulfanylmethyl]-N-ethylpyrazin-2-amine.
What is the SMILES notation for 5-[(2,5-difluorophenyl)sulfanylmethyl]-N-ethylpyrazin-2-amine?
The canonical SMILES for 5-[(2,5-difluorophenyl)sulfanylmethyl]-N-ethylpyrazin-2-amine is CCNc1cnc(CSc2cc(F)ccc2F)cn1.
What is the InChIKey of 5-[(2,5-difluorophenyl)sulfanylmethyl]-N-ethylpyrazin-2-amine?
The InChIKey is ZDLGDLNFYKQHSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2N3S/c1-2-16-13-7-17-10(6-18-13)8-19-12-5-9(14)3-4-11(12)15/h3-7H,2,8H2,1H3,(H,16,18).
What are the key properties of 5-[(2,5-difluorophenyl)sulfanylmethyl]-N-ethylpyrazin-2-amine?
5-[(2,5-difluorophenyl)sulfanylmethyl]-N-ethylpyrazin-2-amine has a molecular weight of 281.33 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,5-difluorophenyl)sulfanylmethyl]-N-ethylpyrazin-2-amine is sourced from PubChem (CID 103059924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).