6-[(5-chloro-2-pyridinyl)sulfanyl]-N-methylpyrazin-2-amine

C10H9ClN4S — CID 80891522

IUPAC6-[(5-chloro-2-pyridinyl)sulfanyl]-N-methylpyrazin-2-amine
SMILESCNc1cncc(Sc2ccc(Cl)cn2)n1
InChIInChI=1S/C10H9ClN4S/c1-12-8-5-13-6-10(15-8)16-9-3-2-7(11)4-14-9/h2-6H,1H3,(H,12,15)
InChIKeyWWBUBIXKWWBJSU-UHFFFAOYSA-N
MW252.73 g/mol
LogP2.72
Rot. Bonds3

About 6-[(5-chloro-2-pyridinyl)sulfanyl]-N-methylpyrazin-2-amine

6-[(5-chloro-2-pyridinyl)sulfanyl]-N-methylpyrazin-2-amine (PubChem CID 80891522) has the molecular formula C10H9ClN4S and a molecular weight of 252.73 g/mol. Its IUPAC name is 6-[(5-chloro-2-pyridinyl)sulfanyl]-N-methylpyrazin-2-amine.

Molecular Properties

Compound Name6-[(5-chloro-2-pyridinyl)sulfanyl]-N-methylpyrazin-2-amine
PubChem CID80891522
Molecular FormulaC10H9ClN4S
Molecular Weight252.73 g/mol
Exact Mass252.02
IUPAC Name6-[(5-chloro-2-pyridinyl)sulfanyl]-N-methylpyrazin-2-amine
SMILESCNc1cncc(Sc2ccc(Cl)cn2)n1
InChIInChI=1S/C10H9ClN4S/c1-12-8-5-13-6-10(15-8)16-9-3-2-7(11)4-14-9/h2-6H,1H3,(H,12,15)
InChIKeyWWBUBIXKWWBJSU-UHFFFAOYSA-N
XLogP2.72
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.73
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(5-chloro-2-pyridinyl)sulfanyl]-N-methylpyrazin-2-amine?
The IUPAC name of 6-[(5-chloro-2-pyridinyl)sulfanyl]-N-methylpyrazin-2-amine (CID 80891522) is 6-[(5-chloro-2-pyridinyl)sulfanyl]-N-methylpyrazin-2-amine.
What is the SMILES notation for 6-[(5-chloro-2-pyridinyl)sulfanyl]-N-methylpyrazin-2-amine?
The canonical SMILES for 6-[(5-chloro-2-pyridinyl)sulfanyl]-N-methylpyrazin-2-amine is CNc1cncc(Sc2ccc(Cl)cn2)n1.
What is the InChIKey of 6-[(5-chloro-2-pyridinyl)sulfanyl]-N-methylpyrazin-2-amine?
The InChIKey is WWBUBIXKWWBJSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN4S/c1-12-8-5-13-6-10(15-8)16-9-3-2-7(11)4-14-9/h2-6H,1H3,(H,12,15).
What are the key properties of 6-[(5-chloro-2-pyridinyl)sulfanyl]-N-methylpyrazin-2-amine?
6-[(5-chloro-2-pyridinyl)sulfanyl]-N-methylpyrazin-2-amine has a molecular weight of 252.73 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-chloro-2-pyridinyl)sulfanyl]-N-methylpyrazin-2-amine is sourced from PubChem (CID 80891522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).