6-ethoxy-N-(3-methylpyrrolidin-3-yl)pyrazin-2-amine

C11H18N4O — CID 107426019

IUPAC6-ethoxy-N-(3-methylpyrrolidin-3-yl)pyrazin-2-amine
SMILESCCOc1cncc(NC2(C)CCNC2)n1
InChIInChI=1S/C11H18N4O/c1-3-16-10-7-13-6-9(14-10)15-11(2)4-5-12-8-11/h6-7,12H,3-5,8H2,1-2H3,(H,14,15)
InChIKeyLIMXXORVARZEQG-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.04
Rot. Bonds4

About 6-ethoxy-N-(3-methylpyrrolidin-3-yl)pyrazin-2-amine

6-ethoxy-N-(3-methylpyrrolidin-3-yl)pyrazin-2-amine (PubChem CID 107426019) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 6-ethoxy-N-(3-methylpyrrolidin-3-yl)pyrazin-2-amine.

Molecular Properties

Compound Name6-ethoxy-N-(3-methylpyrrolidin-3-yl)pyrazin-2-amine
PubChem CID107426019
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name6-ethoxy-N-(3-methylpyrrolidin-3-yl)pyrazin-2-amine
SMILESCCOc1cncc(NC2(C)CCNC2)n1
InChIInChI=1S/C11H18N4O/c1-3-16-10-7-13-6-9(14-10)15-11(2)4-5-12-8-11/h6-7,12H,3-5,8H2,1-2H3,(H,14,15)
InChIKeyLIMXXORVARZEQG-UHFFFAOYSA-N
XLogP1.04
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-N-(3-methylpyrrolidin-3-yl)pyrazin-2-amine?
The IUPAC name of 6-ethoxy-N-(3-methylpyrrolidin-3-yl)pyrazin-2-amine (CID 107426019) is 6-ethoxy-N-(3-methylpyrrolidin-3-yl)pyrazin-2-amine.
What is the SMILES notation for 6-ethoxy-N-(3-methylpyrrolidin-3-yl)pyrazin-2-amine?
The canonical SMILES for 6-ethoxy-N-(3-methylpyrrolidin-3-yl)pyrazin-2-amine is CCOc1cncc(NC2(C)CCNC2)n1.
What is the InChIKey of 6-ethoxy-N-(3-methylpyrrolidin-3-yl)pyrazin-2-amine?
The InChIKey is LIMXXORVARZEQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-3-16-10-7-13-6-9(14-10)15-11(2)4-5-12-8-11/h6-7,12H,3-5,8H2,1-2H3,(H,14,15).
What are the key properties of 6-ethoxy-N-(3-methylpyrrolidin-3-yl)pyrazin-2-amine?
6-ethoxy-N-(3-methylpyrrolidin-3-yl)pyrazin-2-amine has a molecular weight of 222.29 g/mol, XLogP of 1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-N-(3-methylpyrrolidin-3-yl)pyrazin-2-amine is sourced from PubChem (CID 107426019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).