3-amino-6-(3,5-difluorophenyl)sulfanylpyrazine-2-carboximidamide

C11H9F2N5S — CID 89475004

IUPAC3-amino-6-(3,5-difluorophenyl)sulfanylpyrazine-2-carboximidamide
SMILES[H]/N=C(\N)c1nc(Sc2cc(F)cc(F)c2)cnc1N
InChIInChI=1S/C11H9F2N5S/c12-5-1-6(13)3-7(2-5)19-8-4-17-11(16)9(18-8)10(14)15/h1-4H,(H3,14,15)(H2,16,17)
InChIKeyLMTVGGQQNQWIGT-UHFFFAOYSA-N
MW281.29 g/mol
LogP1.77
Rot. Bonds3

About 3-amino-6-(3,5-difluorophenyl)sulfanylpyrazine-2-carboximidamide

3-amino-6-(3,5-difluorophenyl)sulfanylpyrazine-2-carboximidamide (PubChem CID 89475004) has the molecular formula C11H9F2N5S and a molecular weight of 281.29 g/mol. Its IUPAC name is 3-amino-6-(3,5-difluorophenyl)sulfanylpyrazine-2-carboximidamide.

Molecular Properties

Compound Name3-amino-6-(3,5-difluorophenyl)sulfanylpyrazine-2-carboximidamide
PubChem CID89475004
Molecular FormulaC11H9F2N5S
Molecular Weight281.29 g/mol
Exact Mass281.05
IUPAC Name3-amino-6-(3,5-difluorophenyl)sulfanylpyrazine-2-carboximidamide
SMILES[H]/N=C(\N)c1nc(Sc2cc(F)cc(F)c2)cnc1N
InChIInChI=1S/C11H9F2N5S/c12-5-1-6(13)3-7(2-5)19-8-4-17-11(16)9(18-8)10(14)15/h1-4H,(H3,14,15)(H2,16,17)
InChIKeyLMTVGGQQNQWIGT-UHFFFAOYSA-N
XLogP1.77
TPSA101.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.29
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

5-(3,5-Difluorophenyl)sulfanyl-3-ethanimidoylpyrazin-2-amine
CID 88948304
3-Amino-6-(3,5-difluorophenyl)sulfinylpyrazine-2-carboximidamide
CID 89475061
1-[5-(2,3-Difluorophenyl)sulfanyl-6-methylpyrazin-2-yl]-4-methylpiperidin-4-amine
CID 134183157
5-[[2-(Trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine
CID 150353783
3-[2-(Trifluoromethyl)pyridin-3-yl]sulfanylpyrazin-2-amine
CID 153959744
6-Methyl-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine
CID 157932486
[1-[5-(2,3-Difluorophenyl)sulfanyl-6-methylpyrazin-2-yl]-4-methylpiperidin-4-yl]azanium
CID 163486417
5-Ethyl-6-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazine-2,3-diamine
CID 175258310
3-(2-Fluorophenyl)sulfanylpyrazine-2-carboximidamide
CID 55103276
3-(4-Fluorophenyl)sulfanylpyrazine-2-carboximidamide
CID 55103323
3-(3,4-Difluorophenyl)sulfanylpyrazine-2-carboximidamide
CID 55103372
3-(2,4-Difluorophenyl)sulfanylpyrazine-2-carboximidamide
CID 55103419

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(3,5-difluorophenyl)sulfanylpyrazine-2-carboximidamide?
The IUPAC name of 3-amino-6-(3,5-difluorophenyl)sulfanylpyrazine-2-carboximidamide (CID 89475004) is 3-amino-6-(3,5-difluorophenyl)sulfanylpyrazine-2-carboximidamide.
What is the SMILES notation for 3-amino-6-(3,5-difluorophenyl)sulfanylpyrazine-2-carboximidamide?
The canonical SMILES for 3-amino-6-(3,5-difluorophenyl)sulfanylpyrazine-2-carboximidamide is [H]/N=C(\N)c1nc(Sc2cc(F)cc(F)c2)cnc1N.
What is the InChIKey of 3-amino-6-(3,5-difluorophenyl)sulfanylpyrazine-2-carboximidamide?
The InChIKey is LMTVGGQQNQWIGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F2N5S/c12-5-1-6(13)3-7(2-5)19-8-4-17-11(16)9(18-8)10(14)15/h1-4H,(H3,14,15)(H2,16,17).
What are the key properties of 3-amino-6-(3,5-difluorophenyl)sulfanylpyrazine-2-carboximidamide?
3-amino-6-(3,5-difluorophenyl)sulfanylpyrazine-2-carboximidamide has a molecular weight of 281.29 g/mol, XLogP of 1.77, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(3,5-difluorophenyl)sulfanylpyrazine-2-carboximidamide is sourced from PubChem (CID 89475004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).