5,6-dimethyl-N-(2-methylsulfonylethyl)pyrazin-2-amine

C9H15N3O2S — CID 114475378

IUPAC5,6-dimethyl-N-(2-methylsulfonylethyl)pyrazin-2-amine
SMILESCc1ncc(NCCS(C)(=O)=O)nc1C
InChIInChI=1S/C9H15N3O2S/c1-7-8(2)12-9(6-11-7)10-4-5-15(3,13)14/h6H,4-5H2,1-3H3,(H,10,12)
InChIKeyAUNLSSLQSJJHQV-UHFFFAOYSA-N
MW229.30 g/mol
LogP0.55
Rot. Bonds4

About 5,6-dimethyl-N-(2-methylsulfonylethyl)pyrazin-2-amine

5,6-dimethyl-N-(2-methylsulfonylethyl)pyrazin-2-amine (PubChem CID 114475378) has the molecular formula C9H15N3O2S and a molecular weight of 229.30 g/mol. Its IUPAC name is 5,6-dimethyl-N-(2-methylsulfonylethyl)pyrazin-2-amine.

Molecular Properties

Compound Name5,6-dimethyl-N-(2-methylsulfonylethyl)pyrazin-2-amine
PubChem CID114475378
Molecular FormulaC9H15N3O2S
Molecular Weight229.30 g/mol
Exact Mass229.09
IUPAC Name5,6-dimethyl-N-(2-methylsulfonylethyl)pyrazin-2-amine
SMILESCc1ncc(NCCS(C)(=O)=O)nc1C
InChIInChI=1S/C9H15N3O2S/c1-7-8(2)12-9(6-11-7)10-4-5-15(3,13)14/h6H,4-5H2,1-3H3,(H,10,12)
InChIKeyAUNLSSLQSJJHQV-UHFFFAOYSA-N
XLogP0.55
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5,6-dimethyl-N-(3-methylsulfonylpropyl)pyrazin-2-amine
CID 114475440
2-N-(2-methylsulfonylethyl)pyrazine-2,5-diamine
CID 80653348
N-(2-methylsulfonylethyl)pyrazin-2-amine
CID 60919263
N-[2-(2-methoxyethoxy)ethyl]-5,6-dimethylpyrazin-2-amine
CID 114475636
N-(2-butoxyethyl)-5,6-dimethylpyrazin-2-amine
CID 114475476
5-bromo-4-methyl-N-(2-methylsulfonylethyl)pyrimidin-2-amine
CID 131001543
5-[(5,6-dimethylpyrazin-2-yl)amino]pentanamide
CID 106238601
N-[2-(4-aminophenyl)ethyl]-5,6-dimethylpyrazin-2-amine
CID 114476457
5-fluoro-N-(2-methylsulfonylethyl)pyridin-2-amine
CID 61313739
2-methyl-4-N-(2-methylsulfonylethyl)-6-N-propylpyrimidine-4,6-diamine
CID 80791910
2-methyl-4-N-(2-methylsulfonylethyl)pyrimidine-4,6-diamine
CID 80791666
1-N-(5,6-dimethylpyrazin-2-yl)pentane-1,4-diamine
CID 106127510

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-N-(2-methylsulfonylethyl)pyrazin-2-amine?
The IUPAC name of 5,6-dimethyl-N-(2-methylsulfonylethyl)pyrazin-2-amine (CID 114475378) is 5,6-dimethyl-N-(2-methylsulfonylethyl)pyrazin-2-amine.
What is the SMILES notation for 5,6-dimethyl-N-(2-methylsulfonylethyl)pyrazin-2-amine?
The canonical SMILES for 5,6-dimethyl-N-(2-methylsulfonylethyl)pyrazin-2-amine is Cc1ncc(NCCS(C)(=O)=O)nc1C.
What is the InChIKey of 5,6-dimethyl-N-(2-methylsulfonylethyl)pyrazin-2-amine?
The InChIKey is AUNLSSLQSJJHQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2S/c1-7-8(2)12-9(6-11-7)10-4-5-15(3,13)14/h6H,4-5H2,1-3H3,(H,10,12).
What are the key properties of 5,6-dimethyl-N-(2-methylsulfonylethyl)pyrazin-2-amine?
5,6-dimethyl-N-(2-methylsulfonylethyl)pyrazin-2-amine has a molecular weight of 229.30 g/mol, XLogP of 0.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-N-(2-methylsulfonylethyl)pyrazin-2-amine is sourced from PubChem (CID 114475378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).