2-methyl-N-[2-(pyrazin-2-ylamino)ethyl]morpholine-4-carboxamide

C12H19N5O2 — CID 71892876

IUPAC2-methyl-N-[2-(pyrazin-2-ylamino)ethyl]morpholine-4-carboxamide
SMILESCC1CN(C(=O)NCCNc2cnccn2)CCO1
InChIInChI=1S/C12H19N5O2/c1-10-9-17(6-7-19-10)12(18)16-5-4-15-11-8-13-2-3-14-11/h2-3,8,10H,4-7,9H2,1H3,(H,14,15)(H,16,18)
InChIKeyRTBOLAGNENPVEN-UHFFFAOYSA-N
MW265.32 g/mol
LogP0.32
Rot. Bonds4

About 2-methyl-N-[2-(pyrazin-2-ylamino)ethyl]morpholine-4-carboxamide

2-methyl-N-[2-(pyrazin-2-ylamino)ethyl]morpholine-4-carboxamide (PubChem CID 71892876) has the molecular formula C12H19N5O2 and a molecular weight of 265.32 g/mol. Its IUPAC name is 2-methyl-N-[2-(pyrazin-2-ylamino)ethyl]morpholine-4-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[2-(pyrazin-2-ylamino)ethyl]morpholine-4-carboxamide
PubChem CID71892876
Molecular FormulaC12H19N5O2
Molecular Weight265.32 g/mol
Exact Mass265.15
IUPAC Name2-methyl-N-[2-(pyrazin-2-ylamino)ethyl]morpholine-4-carboxamide
SMILESCC1CN(C(=O)NCCNc2cnccn2)CCO1
InChIInChI=1S/C12H19N5O2/c1-10-9-17(6-7-19-10)12(18)16-5-4-15-11-8-13-2-3-14-11/h2-3,8,10H,4-7,9H2,1H3,(H,14,15)(H,16,18)
InChIKeyRTBOLAGNENPVEN-UHFFFAOYSA-N
XLogP0.32
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 2-methyl-N-[2-(pyrazin-2-ylamino)ethyl]morpholine-4-carboxamide?
The IUPAC name of 2-methyl-N-[2-(pyrazin-2-ylamino)ethyl]morpholine-4-carboxamide (CID 71892876) is 2-methyl-N-[2-(pyrazin-2-ylamino)ethyl]morpholine-4-carboxamide.
What is the SMILES notation for 2-methyl-N-[2-(pyrazin-2-ylamino)ethyl]morpholine-4-carboxamide?
The canonical SMILES for 2-methyl-N-[2-(pyrazin-2-ylamino)ethyl]morpholine-4-carboxamide is CC1CN(C(=O)NCCNc2cnccn2)CCO1.
What is the InChIKey of 2-methyl-N-[2-(pyrazin-2-ylamino)ethyl]morpholine-4-carboxamide?
The InChIKey is RTBOLAGNENPVEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2/c1-10-9-17(6-7-19-10)12(18)16-5-4-15-11-8-13-2-3-14-11/h2-3,8,10H,4-7,9H2,1H3,(H,14,15)(H,16,18).
What are the key properties of 2-methyl-N-[2-(pyrazin-2-ylamino)ethyl]morpholine-4-carboxamide?
2-methyl-N-[2-(pyrazin-2-ylamino)ethyl]morpholine-4-carboxamide has a molecular weight of 265.32 g/mol, XLogP of 0.32, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(pyrazin-2-ylamino)ethyl]morpholine-4-carboxamide is sourced from PubChem (CID 71892876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).