2-[(5-aminopyrazin-2-yl)-ethylamino]-N-methylacetamide

C9H15N5O — CID 80652125

IUPAC2-[(5-aminopyrazin-2-yl)-ethylamino]-N-methylacetamide
SMILESCCN(CC(=O)NC)c1cnc(N)cn1
InChIInChI=1S/C9H15N5O/c1-3-14(6-9(15)11-2)8-5-12-7(10)4-13-8/h4-5H,3,6H2,1-2H3,(H2,10,12)(H,11,15)
InChIKeyRYLYHNZYNWJZHB-UHFFFAOYSA-N
MW209.25 g/mol
LogP-0.37
Rot. Bonds4

About 2-[(5-aminopyrazin-2-yl)-ethylamino]-N-methylacetamide

2-[(5-aminopyrazin-2-yl)-ethylamino]-N-methylacetamide (PubChem CID 80652125) has the molecular formula C9H15N5O and a molecular weight of 209.25 g/mol. Its IUPAC name is 2-[(5-aminopyrazin-2-yl)-ethylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[(5-aminopyrazin-2-yl)-ethylamino]-N-methylacetamide
PubChem CID80652125
Molecular FormulaC9H15N5O
Molecular Weight209.25 g/mol
Exact Mass209.13
IUPAC Name2-[(5-aminopyrazin-2-yl)-ethylamino]-N-methylacetamide
SMILESCCN(CC(=O)NC)c1cnc(N)cn1
InChIInChI=1S/C9H15N5O/c1-3-14(6-9(15)11-2)8-5-12-7(10)4-13-8/h4-5H,3,6H2,1-2H3,(H2,10,12)(H,11,15)
InChIKeyRYLYHNZYNWJZHB-UHFFFAOYSA-N
XLogP-0.37
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-aminopyrazin-2-yl)-ethylamino]-N-methylacetamide?
The IUPAC name of 2-[(5-aminopyrazin-2-yl)-ethylamino]-N-methylacetamide (CID 80652125) is 2-[(5-aminopyrazin-2-yl)-ethylamino]-N-methylacetamide.
What is the SMILES notation for 2-[(5-aminopyrazin-2-yl)-ethylamino]-N-methylacetamide?
The canonical SMILES for 2-[(5-aminopyrazin-2-yl)-ethylamino]-N-methylacetamide is CCN(CC(=O)NC)c1cnc(N)cn1.
What is the InChIKey of 2-[(5-aminopyrazin-2-yl)-ethylamino]-N-methylacetamide?
The InChIKey is RYLYHNZYNWJZHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O/c1-3-14(6-9(15)11-2)8-5-12-7(10)4-13-8/h4-5H,3,6H2,1-2H3,(H2,10,12)(H,11,15).
What are the key properties of 2-[(5-aminopyrazin-2-yl)-ethylamino]-N-methylacetamide?
2-[(5-aminopyrazin-2-yl)-ethylamino]-N-methylacetamide has a molecular weight of 209.25 g/mol, XLogP of -0.37, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-aminopyrazin-2-yl)-ethylamino]-N-methylacetamide is sourced from PubChem (CID 80652125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).