6-[(3-bromo-2-pyridinyl)sulfanyl]-N-ethylpyrazin-2-amine

C11H11BrN4S — CID 80890787

IUPAC6-[(3-bromo-2-pyridinyl)sulfanyl]-N-ethylpyrazin-2-amine
SMILESCCNc1cncc(Sc2ncccc2Br)n1
InChIInChI=1S/C11H11BrN4S/c1-2-14-9-6-13-7-10(16-9)17-11-8(12)4-3-5-15-11/h3-7H,2H2,1H3,(H,14,16)
InChIKeyGSIMXIUGJTVDRF-UHFFFAOYSA-N
MW311.21 g/mol
LogP3.22
Rot. Bonds4

About 6-[(3-bromo-2-pyridinyl)sulfanyl]-N-ethylpyrazin-2-amine

6-[(3-bromo-2-pyridinyl)sulfanyl]-N-ethylpyrazin-2-amine (PubChem CID 80890787) has the molecular formula C11H11BrN4S and a molecular weight of 311.21 g/mol. Its IUPAC name is 6-[(3-bromo-2-pyridinyl)sulfanyl]-N-ethylpyrazin-2-amine.

Molecular Properties

Compound Name6-[(3-bromo-2-pyridinyl)sulfanyl]-N-ethylpyrazin-2-amine
PubChem CID80890787
Molecular FormulaC11H11BrN4S
Molecular Weight311.21 g/mol
Exact Mass309.99
IUPAC Name6-[(3-bromo-2-pyridinyl)sulfanyl]-N-ethylpyrazin-2-amine
SMILESCCNc1cncc(Sc2ncccc2Br)n1
InChIInChI=1S/C11H11BrN4S/c1-2-14-9-6-13-7-10(16-9)17-11-8(12)4-3-5-15-11/h3-7H,2H2,1H3,(H,14,16)
InChIKeyGSIMXIUGJTVDRF-UHFFFAOYSA-N
XLogP3.22
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.21
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(3-bromo-2-pyridinyl)sulfanyl]-N-ethylpyrazin-2-amine?
The IUPAC name of 6-[(3-bromo-2-pyridinyl)sulfanyl]-N-ethylpyrazin-2-amine (CID 80890787) is 6-[(3-bromo-2-pyridinyl)sulfanyl]-N-ethylpyrazin-2-amine.
What is the SMILES notation for 6-[(3-bromo-2-pyridinyl)sulfanyl]-N-ethylpyrazin-2-amine?
The canonical SMILES for 6-[(3-bromo-2-pyridinyl)sulfanyl]-N-ethylpyrazin-2-amine is CCNc1cncc(Sc2ncccc2Br)n1.
What is the InChIKey of 6-[(3-bromo-2-pyridinyl)sulfanyl]-N-ethylpyrazin-2-amine?
The InChIKey is GSIMXIUGJTVDRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN4S/c1-2-14-9-6-13-7-10(16-9)17-11-8(12)4-3-5-15-11/h3-7H,2H2,1H3,(H,14,16).
What are the key properties of 6-[(3-bromo-2-pyridinyl)sulfanyl]-N-ethylpyrazin-2-amine?
6-[(3-bromo-2-pyridinyl)sulfanyl]-N-ethylpyrazin-2-amine has a molecular weight of 311.21 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-bromo-2-pyridinyl)sulfanyl]-N-ethylpyrazin-2-amine is sourced from PubChem (CID 80890787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).