ethyl 3-[(5-aminopyrazin-2-yl)amino]propanoate

C9H14N4O2 — CID 80653355

IUPACethyl 3-[(5-aminopyrazin-2-yl)amino]propanoate
SMILESCCOC(=O)CCNc1cnc(N)cn1
InChIInChI=1S/C9H14N4O2/c1-2-15-9(14)3-4-11-8-6-12-7(10)5-13-8/h5-6H,2-4H2,1H3,(H2,10,12)(H,11,13)
InChIKeyMCVZFICSVQGLIK-UHFFFAOYSA-N
MW210.24 g/mol
LogP0.42
Rot. Bonds5

About ethyl 3-[(5-aminopyrazin-2-yl)amino]propanoate

ethyl 3-[(5-aminopyrazin-2-yl)amino]propanoate (PubChem CID 80653355) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is ethyl 3-[(5-aminopyrazin-2-yl)amino]propanoate.

Molecular Properties

Compound Nameethyl 3-[(5-aminopyrazin-2-yl)amino]propanoate
PubChem CID80653355
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Nameethyl 3-[(5-aminopyrazin-2-yl)amino]propanoate
SMILESCCOC(=O)CCNc1cnc(N)cn1
InChIInChI=1S/C9H14N4O2/c1-2-15-9(14)3-4-11-8-6-12-7(10)5-13-8/h5-6H,2-4H2,1H3,(H2,10,12)(H,11,13)
InChIKeyMCVZFICSVQGLIK-UHFFFAOYSA-N
XLogP0.42
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-[(5-aminopyrazin-2-yl)amino]butanoate
CID 80653247
ethyl 3-[(5-tert-butyl-2-pyridinyl)amino]propanoate
CID 114011571
4-[(5-aminopyrazin-2-yl)amino]butanamide
CID 80652340
ethyl 3-(quinoxalin-2-ylamino)propanoate
CID 47439650
3-[(5-aminopyrazin-2-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 113411675
ethyl 4-[(5-carbamothioylpyrazin-2-yl)amino]butanoate
CID 64574857
ethyl 3-[(4-aminopyrimidin-2-yl)amino]propanoate
CID 116795749
ethyl 3-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]propanoate
CID 80816426
ethyl 3-[[5-(dimethylsulfamoyl)-2-pyridinyl]amino]propanoate
CID 103340848
ethyl 3-[(5-methoxypyrimidin-2-yl)amino]propanoate
CID 114600536
ethyl 3-[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]propanoate
CID 80908084
ethyl 3-anilinopropanoate
CID 10910393

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(5-aminopyrazin-2-yl)amino]propanoate?
The IUPAC name of ethyl 3-[(5-aminopyrazin-2-yl)amino]propanoate (CID 80653355) is ethyl 3-[(5-aminopyrazin-2-yl)amino]propanoate.
What is the SMILES notation for ethyl 3-[(5-aminopyrazin-2-yl)amino]propanoate?
The canonical SMILES for ethyl 3-[(5-aminopyrazin-2-yl)amino]propanoate is CCOC(=O)CCNc1cnc(N)cn1.
What is the InChIKey of ethyl 3-[(5-aminopyrazin-2-yl)amino]propanoate?
The InChIKey is MCVZFICSVQGLIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c1-2-15-9(14)3-4-11-8-6-12-7(10)5-13-8/h5-6H,2-4H2,1H3,(H2,10,12)(H,11,13).
What are the key properties of ethyl 3-[(5-aminopyrazin-2-yl)amino]propanoate?
ethyl 3-[(5-aminopyrazin-2-yl)amino]propanoate has a molecular weight of 210.24 g/mol, XLogP of 0.42, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(5-aminopyrazin-2-yl)amino]propanoate is sourced from PubChem (CID 80653355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).