5,6-dimethyl-N-(3-methylsulfonylpropyl)pyrazin-2-amine

C10H17N3O2S — CID 114475440

IUPAC5,6-dimethyl-N-(3-methylsulfonylpropyl)pyrazin-2-amine
SMILESCc1ncc(NCCCS(C)(=O)=O)nc1C
InChIInChI=1S/C10H17N3O2S/c1-8-9(2)13-10(7-12-8)11-5-4-6-16(3,14)15/h7H,4-6H2,1-3H3,(H,11,13)
InChIKeyFYMKYJQANZNQAW-UHFFFAOYSA-N
MW243.33 g/mol
LogP0.94
Rot. Bonds5

About 5,6-dimethyl-N-(3-methylsulfonylpropyl)pyrazin-2-amine

5,6-dimethyl-N-(3-methylsulfonylpropyl)pyrazin-2-amine (PubChem CID 114475440) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is 5,6-dimethyl-N-(3-methylsulfonylpropyl)pyrazin-2-amine.

Molecular Properties

Compound Name5,6-dimethyl-N-(3-methylsulfonylpropyl)pyrazin-2-amine
PubChem CID114475440
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC Name5,6-dimethyl-N-(3-methylsulfonylpropyl)pyrazin-2-amine
SMILESCc1ncc(NCCCS(C)(=O)=O)nc1C
InChIInChI=1S/C10H17N3O2S/c1-8-9(2)13-10(7-12-8)11-5-4-6-16(3,14)15/h7H,4-6H2,1-3H3,(H,11,13)
InChIKeyFYMKYJQANZNQAW-UHFFFAOYSA-N
XLogP0.94
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5,6-dimethyl-N-(2-methylsulfonylethyl)pyrazin-2-amine
CID 114475378
5-[(5,6-dimethylpyrazin-2-yl)amino]pentanamide
CID 106238601
1-N-(5,6-dimethylpyrazin-2-yl)pentane-1,4-diamine
CID 106127510
4-N-(3-methylsulfonylpropyl)pyrimidine-2,4,6-triamine
CID 80812862
N-[4-(2-methoxyethoxy)butyl]-5,6-dimethylpyrazin-2-amine
CID 114476158
5-fluoro-N-(3-methylsulfonylpropyl)pyrimidin-2-amine
CID 115749979
N-(2-butoxyethyl)-5,6-dimethylpyrazin-2-amine
CID 114475476
N-[2-(4-aminophenyl)ethyl]-5,6-dimethylpyrazin-2-amine
CID 114476457
6-chloro-2-N-(3-methylsulfonylpropyl)pyridine-2,4-diamine
CID 102809402
2-ethyl-4-N-(3-methylsulfonylpropyl)pyrimidine-4,6-diamine
CID 80934736
6-methoxy-N-(3-methylsulfonylpropyl)pyridin-2-amine
CID 63591649
N-(2-methylsulfonylethyl)pyrazin-2-amine
CID 60919263

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-N-(3-methylsulfonylpropyl)pyrazin-2-amine?
The IUPAC name of 5,6-dimethyl-N-(3-methylsulfonylpropyl)pyrazin-2-amine (CID 114475440) is 5,6-dimethyl-N-(3-methylsulfonylpropyl)pyrazin-2-amine.
What is the SMILES notation for 5,6-dimethyl-N-(3-methylsulfonylpropyl)pyrazin-2-amine?
The canonical SMILES for 5,6-dimethyl-N-(3-methylsulfonylpropyl)pyrazin-2-amine is Cc1ncc(NCCCS(C)(=O)=O)nc1C.
What is the InChIKey of 5,6-dimethyl-N-(3-methylsulfonylpropyl)pyrazin-2-amine?
The InChIKey is FYMKYJQANZNQAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S/c1-8-9(2)13-10(7-12-8)11-5-4-6-16(3,14)15/h7H,4-6H2,1-3H3,(H,11,13).
What are the key properties of 5,6-dimethyl-N-(3-methylsulfonylpropyl)pyrazin-2-amine?
5,6-dimethyl-N-(3-methylsulfonylpropyl)pyrazin-2-amine has a molecular weight of 243.33 g/mol, XLogP of 0.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-N-(3-methylsulfonylpropyl)pyrazin-2-amine is sourced from PubChem (CID 114475440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).