ethyl 4-[(5-aminopyrazin-2-yl)amino]butanoate

C10H16N4O2 — CID 80653247

IUPACethyl 4-[(5-aminopyrazin-2-yl)amino]butanoate
SMILESCCOC(=O)CCCNc1cnc(N)cn1
InChIInChI=1S/C10H16N4O2/c1-2-16-10(15)4-3-5-12-9-7-13-8(11)6-14-9/h6-7H,2-5H2,1H3,(H2,11,13)(H,12,14)
InChIKeyQDSYLCPKZNUHGA-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.81
Rot. Bonds6

About ethyl 4-[(5-aminopyrazin-2-yl)amino]butanoate

ethyl 4-[(5-aminopyrazin-2-yl)amino]butanoate (PubChem CID 80653247) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is ethyl 4-[(5-aminopyrazin-2-yl)amino]butanoate.

Molecular Properties

Compound Nameethyl 4-[(5-aminopyrazin-2-yl)amino]butanoate
PubChem CID80653247
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Nameethyl 4-[(5-aminopyrazin-2-yl)amino]butanoate
SMILESCCOC(=O)CCCNc1cnc(N)cn1
InChIInChI=1S/C10H16N4O2/c1-2-16-10(15)4-3-5-12-9-7-13-8(11)6-14-9/h6-7H,2-5H2,1H3,(H2,11,13)(H,12,14)
InChIKeyQDSYLCPKZNUHGA-UHFFFAOYSA-N
XLogP0.81
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl 3-[(5-aminopyrazin-2-yl)amino]propanoate
CID 80653355
4-[(5-aminopyrazin-2-yl)amino]butanamide
CID 80652340
ethyl 4-[(5-carbamothioylpyrazin-2-yl)amino]butanoate
CID 64574857
2-N-hexylpyrazine-2,5-diamine
CID 80652876
2-N-octylpyrazine-2,5-diamine
CID 115565252
ethyl 4-[(6-fluoropyrimidin-4-yl)amino]butanoate
CID 115417070
ethyl 4-[(6-methyl-2-pyridinyl)amino]butanoate
CID 64579139
ethyl 4-[(3-methylpyrazin-2-yl)amino]butanoate
CID 83062864
6-[(5-aminopyrazin-2-yl)amino]hexan-1-ol
CID 107855093
ethyl 4-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]butanoate
CID 80915942
ethyl 3-[(5-tert-butyl-2-pyridinyl)amino]propanoate
CID 114011571
3-[(5-aminopyrazin-2-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 113411675

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(5-aminopyrazin-2-yl)amino]butanoate?
The IUPAC name of ethyl 4-[(5-aminopyrazin-2-yl)amino]butanoate (CID 80653247) is ethyl 4-[(5-aminopyrazin-2-yl)amino]butanoate.
What is the SMILES notation for ethyl 4-[(5-aminopyrazin-2-yl)amino]butanoate?
The canonical SMILES for ethyl 4-[(5-aminopyrazin-2-yl)amino]butanoate is CCOC(=O)CCCNc1cnc(N)cn1.
What is the InChIKey of ethyl 4-[(5-aminopyrazin-2-yl)amino]butanoate?
The InChIKey is QDSYLCPKZNUHGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-2-16-10(15)4-3-5-12-9-7-13-8(11)6-14-9/h6-7H,2-5H2,1H3,(H2,11,13)(H,12,14).
What are the key properties of ethyl 4-[(5-aminopyrazin-2-yl)amino]butanoate?
ethyl 4-[(5-aminopyrazin-2-yl)amino]butanoate has a molecular weight of 224.26 g/mol, XLogP of 0.81, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(5-aminopyrazin-2-yl)amino]butanoate is sourced from PubChem (CID 80653247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).