(2-methyl-6-pyrazin-2-ylsulfanyl-4-pyridinyl)methanamine

C11H12N4S — CID 114769896

IUPAC(2-methyl-6-pyrazin-2-ylsulfanyl-4-pyridinyl)methanamine
SMILESCc1cc(CN)cc(Sc2cnccn2)n1
InChIInChI=1S/C11H12N4S/c1-8-4-9(6-12)5-10(15-8)16-11-7-13-2-3-14-11/h2-5,7H,6,12H2,1H3
InChIKeyQSJVCYFTVWNTFJ-UHFFFAOYSA-N
MW232.31 g/mol
LogP1.79
Rot. Bonds3

About (2-methyl-6-pyrazin-2-ylsulfanyl-4-pyridinyl)methanamine

(2-methyl-6-pyrazin-2-ylsulfanyl-4-pyridinyl)methanamine (PubChem CID 114769896) has the molecular formula C11H12N4S and a molecular weight of 232.31 g/mol. Its IUPAC name is (2-methyl-6-pyrazin-2-ylsulfanyl-4-pyridinyl)methanamine.

Molecular Properties

Compound Name(2-methyl-6-pyrazin-2-ylsulfanyl-4-pyridinyl)methanamine
PubChem CID114769896
Molecular FormulaC11H12N4S
Molecular Weight232.31 g/mol
Exact Mass232.08
IUPAC Name(2-methyl-6-pyrazin-2-ylsulfanyl-4-pyridinyl)methanamine
SMILESCc1cc(CN)cc(Sc2cnccn2)n1
InChIInChI=1S/C11H12N4S/c1-8-4-9(6-12)5-10(15-8)16-11-7-13-2-3-14-11/h2-5,7H,6,12H2,1H3
InChIKeyQSJVCYFTVWNTFJ-UHFFFAOYSA-N
XLogP1.79
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-methyl-6-pyrazin-2-ylsulfanyl-4-pyridinyl)methanamine?
The IUPAC name of (2-methyl-6-pyrazin-2-ylsulfanyl-4-pyridinyl)methanamine (CID 114769896) is (2-methyl-6-pyrazin-2-ylsulfanyl-4-pyridinyl)methanamine.
What is the SMILES notation for (2-methyl-6-pyrazin-2-ylsulfanyl-4-pyridinyl)methanamine?
The canonical SMILES for (2-methyl-6-pyrazin-2-ylsulfanyl-4-pyridinyl)methanamine is Cc1cc(CN)cc(Sc2cnccn2)n1.
What is the InChIKey of (2-methyl-6-pyrazin-2-ylsulfanyl-4-pyridinyl)methanamine?
The InChIKey is QSJVCYFTVWNTFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4S/c1-8-4-9(6-12)5-10(15-8)16-11-7-13-2-3-14-11/h2-5,7H,6,12H2,1H3.
What are the key properties of (2-methyl-6-pyrazin-2-ylsulfanyl-4-pyridinyl)methanamine?
(2-methyl-6-pyrazin-2-ylsulfanyl-4-pyridinyl)methanamine has a molecular weight of 232.31 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-6-pyrazin-2-ylsulfanyl-4-pyridinyl)methanamine is sourced from PubChem (CID 114769896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).