5-[(3-bromo-2-pyridinyl)sulfanylmethyl]pyrazin-2-amine

C10H9BrN4S — CID 103060224

IUPAC5-[(3-bromo-2-pyridinyl)sulfanylmethyl]pyrazin-2-amine
SMILESNc1cnc(CSc2ncccc2Br)cn1
InChIInChI=1S/C10H9BrN4S/c11-8-2-1-3-13-10(8)16-6-7-4-15-9(12)5-14-7/h1-5H,6H2,(H2,12,15)
InChIKeyQLBPSGQHVLNLBH-UHFFFAOYSA-N
MW297.18 g/mol
LogP2.51
Rot. Bonds3

About 5-[(3-bromo-2-pyridinyl)sulfanylmethyl]pyrazin-2-amine

5-[(3-bromo-2-pyridinyl)sulfanylmethyl]pyrazin-2-amine (PubChem CID 103060224) has the molecular formula C10H9BrN4S and a molecular weight of 297.18 g/mol. Its IUPAC name is 5-[(3-bromo-2-pyridinyl)sulfanylmethyl]pyrazin-2-amine.

Molecular Properties

Compound Name5-[(3-bromo-2-pyridinyl)sulfanylmethyl]pyrazin-2-amine
PubChem CID103060224
Molecular FormulaC10H9BrN4S
Molecular Weight297.18 g/mol
Exact Mass295.97
IUPAC Name5-[(3-bromo-2-pyridinyl)sulfanylmethyl]pyrazin-2-amine
SMILESNc1cnc(CSc2ncccc2Br)cn1
InChIInChI=1S/C10H9BrN4S/c11-8-2-1-3-13-10(8)16-6-7-4-15-9(12)5-14-7/h1-5H,6H2,(H2,12,15)
InChIKeyQLBPSGQHVLNLBH-UHFFFAOYSA-N
XLogP2.51
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.18
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(pyridin-2-ylsulfanylmethyl)pyrazin-2-amine
CID 103059734
3-[(3-bromo-2-pyridinyl)sulfanylmethyl]-6-chloropyridazine
CID 104514389
3-bromo-2-prop-2-enylsulfanylpyridine
CID 97182206
6-[(3-bromo-2-pyridinyl)sulfanylmethyl]pyridine-2-carbohydrazide
CID 106909693
[2-[(3-bromo-2-pyridinyl)sulfanylmethyl]-4-fluorophenyl]methanamine
CID 64765590
1-[(3-bromo-2-pyridinyl)sulfanyl]-N-methylpropan-2-amine
CID 64631646
3-bromo-2-(methylsulfanylmethylsulfanyl)pyridine
CID 130835217
[4-[(3-bromo-2-pyridinyl)sulfanylmethyl]-3-chlorophenyl]methanamine
CID 102669152
2-amino-4-[(3-bromo-2-pyridinyl)sulfanyl]butan-1-ol
CID 64821539
3-[(5-aminopyrazin-2-yl)methylsulfanyl]phenol
CID 103060385
3-bromo-2-[2-(bromomethyl)-3,3-dimethylbutyl]sulfanylpyridine
CID 65016129
2-[(3-bromo-2-pyridinyl)sulfanyl]-1-(3-fluorophenyl)ethanamine
CID 107525232

Frequently Asked Questions

What is the IUPAC name of 5-[(3-bromo-2-pyridinyl)sulfanylmethyl]pyrazin-2-amine?
The IUPAC name of 5-[(3-bromo-2-pyridinyl)sulfanylmethyl]pyrazin-2-amine (CID 103060224) is 5-[(3-bromo-2-pyridinyl)sulfanylmethyl]pyrazin-2-amine.
What is the SMILES notation for 5-[(3-bromo-2-pyridinyl)sulfanylmethyl]pyrazin-2-amine?
The canonical SMILES for 5-[(3-bromo-2-pyridinyl)sulfanylmethyl]pyrazin-2-amine is Nc1cnc(CSc2ncccc2Br)cn1.
What is the InChIKey of 5-[(3-bromo-2-pyridinyl)sulfanylmethyl]pyrazin-2-amine?
The InChIKey is QLBPSGQHVLNLBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN4S/c11-8-2-1-3-13-10(8)16-6-7-4-15-9(12)5-14-7/h1-5H,6H2,(H2,12,15).
What are the key properties of 5-[(3-bromo-2-pyridinyl)sulfanylmethyl]pyrazin-2-amine?
5-[(3-bromo-2-pyridinyl)sulfanylmethyl]pyrazin-2-amine has a molecular weight of 297.18 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-bromo-2-pyridinyl)sulfanylmethyl]pyrazin-2-amine is sourced from PubChem (CID 103060224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).