5-[3-(dimethylaminosulfanyl)phenyl]-3-methylpyrazin-2-amine

C13H16N4S — CID 145057200

IUPAC5-[3-(dimethylaminosulfanyl)phenyl]-3-methylpyrazin-2-amine
SMILESCc1nc(-c2cccc(SN(C)C)c2)cnc1N
InChIInChI=1S/C13H16N4S/c1-9-13(14)15-8-12(16-9)10-5-4-6-11(7-10)18-17(2)3/h4-8H,1-3H3,(H2,14,15)
InChIKeyGZAKOHKOHJBBFO-UHFFFAOYSA-N
MW260.37 g/mol
LogP2.60
Rot. Bonds3

About 5-[3-(dimethylaminosulfanyl)phenyl]-3-methylpyrazin-2-amine

5-[3-(dimethylaminosulfanyl)phenyl]-3-methylpyrazin-2-amine (PubChem CID 145057200) has the molecular formula C13H16N4S and a molecular weight of 260.37 g/mol. Its IUPAC name is 5-[3-(dimethylaminosulfanyl)phenyl]-3-methylpyrazin-2-amine.

Molecular Properties

Compound Name5-[3-(dimethylaminosulfanyl)phenyl]-3-methylpyrazin-2-amine
PubChem CID145057200
Molecular FormulaC13H16N4S
Molecular Weight260.37 g/mol
Exact Mass260.11
IUPAC Name5-[3-(dimethylaminosulfanyl)phenyl]-3-methylpyrazin-2-amine
SMILESCc1nc(-c2cccc(SN(C)C)c2)cnc1N
InChIInChI=1S/C13H16N4S/c1-9-13(14)15-8-12(16-9)10-5-4-6-11(7-10)18-17(2)3/h4-8H,1-3H3,(H2,14,15)
InChIKeyGZAKOHKOHJBBFO-UHFFFAOYSA-N
XLogP2.60
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.37
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(dimethylaminosulfanyl)phenyl]-3-methylpyrazin-2-amine?
The IUPAC name of 5-[3-(dimethylaminosulfanyl)phenyl]-3-methylpyrazin-2-amine (CID 145057200) is 5-[3-(dimethylaminosulfanyl)phenyl]-3-methylpyrazin-2-amine.
What is the SMILES notation for 5-[3-(dimethylaminosulfanyl)phenyl]-3-methylpyrazin-2-amine?
The canonical SMILES for 5-[3-(dimethylaminosulfanyl)phenyl]-3-methylpyrazin-2-amine is Cc1nc(-c2cccc(SN(C)C)c2)cnc1N.
What is the InChIKey of 5-[3-(dimethylaminosulfanyl)phenyl]-3-methylpyrazin-2-amine?
The InChIKey is GZAKOHKOHJBBFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4S/c1-9-13(14)15-8-12(16-9)10-5-4-6-11(7-10)18-17(2)3/h4-8H,1-3H3,(H2,14,15).
What are the key properties of 5-[3-(dimethylaminosulfanyl)phenyl]-3-methylpyrazin-2-amine?
5-[3-(dimethylaminosulfanyl)phenyl]-3-methylpyrazin-2-amine has a molecular weight of 260.37 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(dimethylaminosulfanyl)phenyl]-3-methylpyrazin-2-amine is sourced from PubChem (CID 145057200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).