N-[3-(2-aminoethoxy)propyl]-6-ethoxypyrazin-2-amine

C11H20N4O2 — CID 106308549

IUPACN-[3-(2-aminoethoxy)propyl]-6-ethoxypyrazin-2-amine
SMILESCCOc1cncc(NCCCOCCN)n1
InChIInChI=1S/C11H20N4O2/c1-2-17-11-9-13-8-10(15-11)14-5-3-6-16-7-4-12/h8-9H,2-7,12H2,1H3,(H,14,15)
InChIKeyKLCMBUKTMZLPOG-UHFFFAOYSA-N
MW240.31 g/mol
LogP0.65
Rot. Bonds9

About N-[3-(2-aminoethoxy)propyl]-6-ethoxypyrazin-2-amine

N-[3-(2-aminoethoxy)propyl]-6-ethoxypyrazin-2-amine (PubChem CID 106308549) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is N-[3-(2-aminoethoxy)propyl]-6-ethoxypyrazin-2-amine.

Molecular Properties

Compound NameN-[3-(2-aminoethoxy)propyl]-6-ethoxypyrazin-2-amine
PubChem CID106308549
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC NameN-[3-(2-aminoethoxy)propyl]-6-ethoxypyrazin-2-amine
SMILESCCOc1cncc(NCCCOCCN)n1
InChIInChI=1S/C11H20N4O2/c1-2-17-11-9-13-8-10(15-11)14-5-3-6-16-7-4-12/h8-9H,2-7,12H2,1H3,(H,14,15)
InChIKeyKLCMBUKTMZLPOG-UHFFFAOYSA-N
XLogP0.65
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 50.65
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

N'-(6-ethoxypyrazin-2-yl)pentane-1,5-diamine
CID 107323521
N-(6-ethoxypyrazin-2-yl)-2,2-dimethylpentane-1,5-diamine
CID 114149316
6-[2-(3-methoxypropoxy)ethoxy]-N-propylpyrazin-2-amine
CID 103176484
N-(3-ethoxypropyl)-6-hydrazinylpyrazin-2-amine
CID 80942888
N-[3-(2-aminoethoxy)propyl]-6-propoxypyrimidin-4-amine
CID 106308236
N-[3-(2-aminoethoxy)propyl]-2-methylpyrimidin-4-amine
CID 106308298
3-N-(6-ethoxypyrazin-2-yl)butane-1,3-diamine
CID 83179069
6-butoxy-N-ethylpyrazin-2-amine
CID 80865504
N-[3-(2-aminoethoxy)propyl]-5-fluoropyridin-2-amine
CID 106308279
2-N-(6-ethoxypyrazin-2-yl)-3-methoxypropane-1,2-diamine
CID 106182379
2-N-(2-butoxyethyl)-6-N-ethylpyrazine-2,6-diamine
CID 78918192
(6-ethoxypyrazin-2-yl)thiourea
CID 90714777

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-aminoethoxy)propyl]-6-ethoxypyrazin-2-amine?
The IUPAC name of N-[3-(2-aminoethoxy)propyl]-6-ethoxypyrazin-2-amine (CID 106308549) is N-[3-(2-aminoethoxy)propyl]-6-ethoxypyrazin-2-amine.
What is the SMILES notation for N-[3-(2-aminoethoxy)propyl]-6-ethoxypyrazin-2-amine?
The canonical SMILES for N-[3-(2-aminoethoxy)propyl]-6-ethoxypyrazin-2-amine is CCOc1cncc(NCCCOCCN)n1.
What is the InChIKey of N-[3-(2-aminoethoxy)propyl]-6-ethoxypyrazin-2-amine?
The InChIKey is KLCMBUKTMZLPOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-2-17-11-9-13-8-10(15-11)14-5-3-6-16-7-4-12/h8-9H,2-7,12H2,1H3,(H,14,15).
What are the key properties of N-[3-(2-aminoethoxy)propyl]-6-ethoxypyrazin-2-amine?
N-[3-(2-aminoethoxy)propyl]-6-ethoxypyrazin-2-amine has a molecular weight of 240.31 g/mol, XLogP of 0.65, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-aminoethoxy)propyl]-6-ethoxypyrazin-2-amine is sourced from PubChem (CID 106308549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).