methyl 2-[(6-aminopyrazin-2-yl)-ethylamino]acetate

C9H14N4O2 — CID 80647804

IUPACmethyl 2-[(6-aminopyrazin-2-yl)-ethylamino]acetate
SMILESCCN(CC(=O)OC)c1cncc(N)n1
InChIInChI=1S/C9H14N4O2/c1-3-13(6-9(14)15-2)8-5-11-4-7(10)12-8/h4-5H,3,6H2,1-2H3,(H2,10,12)
InChIKeyWBAOIBDQXXEJNT-UHFFFAOYSA-N
MW210.24 g/mol
LogP0.06
Rot. Bonds4

About methyl 2-[(6-aminopyrazin-2-yl)-ethylamino]acetate

methyl 2-[(6-aminopyrazin-2-yl)-ethylamino]acetate (PubChem CID 80647804) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is methyl 2-[(6-aminopyrazin-2-yl)-ethylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(6-aminopyrazin-2-yl)-ethylamino]acetate
PubChem CID80647804
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Namemethyl 2-[(6-aminopyrazin-2-yl)-ethylamino]acetate
SMILESCCN(CC(=O)OC)c1cncc(N)n1
InChIInChI=1S/C9H14N4O2/c1-3-13(6-9(14)15-2)8-5-11-4-7(10)12-8/h4-5H,3,6H2,1-2H3,(H2,10,12)
InChIKeyWBAOIBDQXXEJNT-UHFFFAOYSA-N
XLogP0.06
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(6-aminopyrazin-2-yl)-ethylamino]-N-methylacetamide
CID 80647459
methyl 6-[bis(2-methoxy-2-oxoethyl)amino]pyrazine-2-carboxylate
CID 66456232
2-N-[3-(diethylamino)propyl]-2-N-ethylpyrazine-2,6-diamine
CID 102998767
methyl 2-[(4-aminopyrimidin-2-yl)-(2-methoxy-2-oxoethyl)amino]acetate
CID 116796877
2-N,2-N-bis(2-ethoxyethyl)pyrazine-2,6-diamine
CID 82952490
methyl 6-[ethyl-(2-hydroxy-2-methylpropyl)amino]pyrazine-2-carboxylate
CID 79390457
methyl 6-[2-aminoethyl(ethyl)amino]pyrazine-2-carboxylate
CID 114900602
methyl 2-[ethyl-(4-methyl-2-pyridinyl)amino]acetate
CID 62005209
methyl 2-[(4-amino-6-bromopyrimidin-2-yl)-(2-methoxy-2-oxoethyl)amino]acetate
CID 116796876
6-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]pyrazine-2-carboxylic acid
CID 66456063
methyl 2-[(4-chloro-1,3-thiazol-2-yl)-ethylamino]acetate
CID 83156794
methyl 2-[(4-amino-6-bromopyrimidin-2-yl)-propylamino]acetate
CID 116796533

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(6-aminopyrazin-2-yl)-ethylamino]acetate?
The IUPAC name of methyl 2-[(6-aminopyrazin-2-yl)-ethylamino]acetate (CID 80647804) is methyl 2-[(6-aminopyrazin-2-yl)-ethylamino]acetate.
What is the SMILES notation for methyl 2-[(6-aminopyrazin-2-yl)-ethylamino]acetate?
The canonical SMILES for methyl 2-[(6-aminopyrazin-2-yl)-ethylamino]acetate is CCN(CC(=O)OC)c1cncc(N)n1.
What is the InChIKey of methyl 2-[(6-aminopyrazin-2-yl)-ethylamino]acetate?
The InChIKey is WBAOIBDQXXEJNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c1-3-13(6-9(14)15-2)8-5-11-4-7(10)12-8/h4-5H,3,6H2,1-2H3,(H2,10,12).
What are the key properties of methyl 2-[(6-aminopyrazin-2-yl)-ethylamino]acetate?
methyl 2-[(6-aminopyrazin-2-yl)-ethylamino]acetate has a molecular weight of 210.24 g/mol, XLogP of 0.06, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(6-aminopyrazin-2-yl)-ethylamino]acetate is sourced from PubChem (CID 80647804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).