5-[[methyl(2-methylsulfanylethyl)amino]methyl]pyrazin-2-amine

C9H16N4S — CID 103056806

IUPAC5-[[methyl(2-methylsulfanylethyl)amino]methyl]pyrazin-2-amine
SMILESCSCCN(C)Cc1cnc(N)cn1
InChIInChI=1S/C9H16N4S/c1-13(3-4-14-2)7-8-5-12-9(10)6-11-8/h5-6H,3-4,7H2,1-2H3,(H2,10,12)
InChIKeyGYMWRYCOQUIXGW-UHFFFAOYSA-N
MW212.32 g/mol
LogP0.85
Rot. Bonds5

About 5-[[methyl(2-methylsulfanylethyl)amino]methyl]pyrazin-2-amine

5-[[methyl(2-methylsulfanylethyl)amino]methyl]pyrazin-2-amine (PubChem CID 103056806) has the molecular formula C9H16N4S and a molecular weight of 212.32 g/mol. Its IUPAC name is 5-[[methyl(2-methylsulfanylethyl)amino]methyl]pyrazin-2-amine.

Molecular Properties

Compound Name5-[[methyl(2-methylsulfanylethyl)amino]methyl]pyrazin-2-amine
PubChem CID103056806
Molecular FormulaC9H16N4S
Molecular Weight212.32 g/mol
Exact Mass212.11
IUPAC Name5-[[methyl(2-methylsulfanylethyl)amino]methyl]pyrazin-2-amine
SMILESCSCCN(C)Cc1cnc(N)cn1
InChIInChI=1S/C9H16N4S/c1-13(3-4-14-2)7-8-5-12-9(10)6-11-8/h5-6H,3-4,7H2,1-2H3,(H2,10,12)
InChIKeyGYMWRYCOQUIXGW-UHFFFAOYSA-N
XLogP0.85
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[methyl(2-methylsulfanylethyl)amino]methyl]pyrazin-2-amine?
The IUPAC name of 5-[[methyl(2-methylsulfanylethyl)amino]methyl]pyrazin-2-amine (CID 103056806) is 5-[[methyl(2-methylsulfanylethyl)amino]methyl]pyrazin-2-amine.
What is the SMILES notation for 5-[[methyl(2-methylsulfanylethyl)amino]methyl]pyrazin-2-amine?
The canonical SMILES for 5-[[methyl(2-methylsulfanylethyl)amino]methyl]pyrazin-2-amine is CSCCN(C)Cc1cnc(N)cn1.
What is the InChIKey of 5-[[methyl(2-methylsulfanylethyl)amino]methyl]pyrazin-2-amine?
The InChIKey is GYMWRYCOQUIXGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4S/c1-13(3-4-14-2)7-8-5-12-9(10)6-11-8/h5-6H,3-4,7H2,1-2H3,(H2,10,12).
What are the key properties of 5-[[methyl(2-methylsulfanylethyl)amino]methyl]pyrazin-2-amine?
5-[[methyl(2-methylsulfanylethyl)amino]methyl]pyrazin-2-amine has a molecular weight of 212.32 g/mol, XLogP of 0.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[methyl(2-methylsulfanylethyl)amino]methyl]pyrazin-2-amine is sourced from PubChem (CID 103056806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).