ethyl 3-[(3,6-dimethylpyrazin-2-yl)amino]propanoate

C11H17N3O2 — CID 62005226

IUPACethyl 3-[(3,6-dimethylpyrazin-2-yl)amino]propanoate
SMILESCCOC(=O)CCNc1nc(C)cnc1C
InChIInChI=1S/C11H17N3O2/c1-4-16-10(15)5-6-12-11-9(3)13-7-8(2)14-11/h7H,4-6H2,1-3H3,(H,12,14)
InChIKeyIKEWYHQKHORTJL-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.46
Rot. Bonds5

About ethyl 3-[(3,6-dimethylpyrazin-2-yl)amino]propanoate

ethyl 3-[(3,6-dimethylpyrazin-2-yl)amino]propanoate (PubChem CID 62005226) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is ethyl 3-[(3,6-dimethylpyrazin-2-yl)amino]propanoate.

Molecular Properties

Compound Nameethyl 3-[(3,6-dimethylpyrazin-2-yl)amino]propanoate
PubChem CID62005226
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Nameethyl 3-[(3,6-dimethylpyrazin-2-yl)amino]propanoate
SMILESCCOC(=O)CCNc1nc(C)cnc1C
InChIInChI=1S/C11H17N3O2/c1-4-16-10(15)5-6-12-11-9(3)13-7-8(2)14-11/h7H,4-6H2,1-3H3,(H,12,14)
InChIKeyIKEWYHQKHORTJL-UHFFFAOYSA-N
XLogP1.46
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 3-[(3,6-dimethylpyrazin-2-yl)amino]propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(3,6-dimethylpyrazin-2-yl)amino]propanoate?
The IUPAC name of ethyl 3-[(3,6-dimethylpyrazin-2-yl)amino]propanoate (CID 62005226) is ethyl 3-[(3,6-dimethylpyrazin-2-yl)amino]propanoate.
What is the SMILES notation for ethyl 3-[(3,6-dimethylpyrazin-2-yl)amino]propanoate?
The canonical SMILES for ethyl 3-[(3,6-dimethylpyrazin-2-yl)amino]propanoate is CCOC(=O)CCNc1nc(C)cnc1C.
What is the InChIKey of ethyl 3-[(3,6-dimethylpyrazin-2-yl)amino]propanoate?
The InChIKey is IKEWYHQKHORTJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-4-16-10(15)5-6-12-11-9(3)13-7-8(2)14-11/h7H,4-6H2,1-3H3,(H,12,14).
What are the key properties of ethyl 3-[(3,6-dimethylpyrazin-2-yl)amino]propanoate?
ethyl 3-[(3,6-dimethylpyrazin-2-yl)amino]propanoate has a molecular weight of 223.28 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(3,6-dimethylpyrazin-2-yl)amino]propanoate is sourced from PubChem (CID 62005226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).