6-(3-morpholin-4-ylpyrrolidin-1-yl)pyrazin-2-amine

C12H19N5O — CID 79026019

IUPAC6-(3-morpholin-4-ylpyrrolidin-1-yl)pyrazin-2-amine
SMILESNc1cncc(N2CCC(N3CCOCC3)C2)n1
InChIInChI=1S/C12H19N5O/c13-11-7-14-8-12(15-11)17-2-1-10(9-17)16-3-5-18-6-4-16/h7-8,10H,1-6,9H2,(H2,13,15)
InChIKeyXQLAYQCCCZCYLZ-UHFFFAOYSA-N
MW249.32 g/mol
LogP-0.03
Rot. Bonds2

About 6-(3-morpholin-4-ylpyrrolidin-1-yl)pyrazin-2-amine

6-(3-morpholin-4-ylpyrrolidin-1-yl)pyrazin-2-amine (PubChem CID 79026019) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is 6-(3-morpholin-4-ylpyrrolidin-1-yl)pyrazin-2-amine.

Molecular Properties

Compound Name6-(3-morpholin-4-ylpyrrolidin-1-yl)pyrazin-2-amine
PubChem CID79026019
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC Name6-(3-morpholin-4-ylpyrrolidin-1-yl)pyrazin-2-amine
SMILESNc1cncc(N2CCC(N3CCOCC3)C2)n1
InChIInChI=1S/C12H19N5O/c13-11-7-14-8-12(15-11)17-2-1-10(9-17)16-3-5-18-6-4-16/h7-8,10H,1-6,9H2,(H2,13,15)
InChIKeyXQLAYQCCCZCYLZ-UHFFFAOYSA-N
XLogP-0.03
TPSA67.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(3-morpholin-4-ylpyrrolidin-1-yl)pyrazin-2-amine?
The IUPAC name of 6-(3-morpholin-4-ylpyrrolidin-1-yl)pyrazin-2-amine (CID 79026019) is 6-(3-morpholin-4-ylpyrrolidin-1-yl)pyrazin-2-amine.
What is the SMILES notation for 6-(3-morpholin-4-ylpyrrolidin-1-yl)pyrazin-2-amine?
The canonical SMILES for 6-(3-morpholin-4-ylpyrrolidin-1-yl)pyrazin-2-amine is Nc1cncc(N2CCC(N3CCOCC3)C2)n1.
What is the InChIKey of 6-(3-morpholin-4-ylpyrrolidin-1-yl)pyrazin-2-amine?
The InChIKey is XQLAYQCCCZCYLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c13-11-7-14-8-12(15-11)17-2-1-10(9-17)16-3-5-18-6-4-16/h7-8,10H,1-6,9H2,(H2,13,15).
What are the key properties of 6-(3-morpholin-4-ylpyrrolidin-1-yl)pyrazin-2-amine?
6-(3-morpholin-4-ylpyrrolidin-1-yl)pyrazin-2-amine has a molecular weight of 249.32 g/mol, XLogP of -0.03, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-morpholin-4-ylpyrrolidin-1-yl)pyrazin-2-amine is sourced from PubChem (CID 79026019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).