N-(2-methoxyethyl)-3,6-dimethylpyrazin-2-amine

C9H15N3O — CID 60631562

IUPACN-(2-methoxyethyl)-3,6-dimethylpyrazin-2-amine
SMILESCOCCNc1nc(C)cnc1C
InChIInChI=1S/C9H15N3O/c1-7-6-11-8(2)9(12-7)10-4-5-13-3/h6H,4-5H2,1-3H3,(H,10,12)
InChIKeyARVMCZAERIVWDB-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.15
Rot. Bonds4

About N-(2-methoxyethyl)-3,6-dimethylpyrazin-2-amine

N-(2-methoxyethyl)-3,6-dimethylpyrazin-2-amine (PubChem CID 60631562) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3,6-dimethylpyrazin-2-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3,6-dimethylpyrazin-2-amine
PubChem CID60631562
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC NameN-(2-methoxyethyl)-3,6-dimethylpyrazin-2-amine
SMILESCOCCNc1nc(C)cnc1C
InChIInChI=1S/C9H15N3O/c1-7-6-11-8(2)9(12-7)10-4-5-13-3/h6H,4-5H2,1-3H3,(H,10,12)
InChIKeyARVMCZAERIVWDB-UHFFFAOYSA-N
XLogP1.15
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3,6-dimethylpyrazin-2-amine?
The IUPAC name of N-(2-methoxyethyl)-3,6-dimethylpyrazin-2-amine (CID 60631562) is N-(2-methoxyethyl)-3,6-dimethylpyrazin-2-amine.
What is the SMILES notation for N-(2-methoxyethyl)-3,6-dimethylpyrazin-2-amine?
The canonical SMILES for N-(2-methoxyethyl)-3,6-dimethylpyrazin-2-amine is COCCNc1nc(C)cnc1C.
What is the InChIKey of N-(2-methoxyethyl)-3,6-dimethylpyrazin-2-amine?
The InChIKey is ARVMCZAERIVWDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-7-6-11-8(2)9(12-7)10-4-5-13-3/h6H,4-5H2,1-3H3,(H,10,12).
What are the key properties of N-(2-methoxyethyl)-3,6-dimethylpyrazin-2-amine?
N-(2-methoxyethyl)-3,6-dimethylpyrazin-2-amine has a molecular weight of 181.24 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3,6-dimethylpyrazin-2-amine is sourced from PubChem (CID 60631562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).