N-[2-(2-chloroethoxy)ethyl]-6-methoxypyrazin-2-amine

C9H14ClN3O2 — CID 65027262

IUPACN-[2-(2-chloroethoxy)ethyl]-6-methoxypyrazin-2-amine
SMILESCOc1cncc(NCCOCCCl)n1
InChIInChI=1S/C9H14ClN3O2/c1-14-9-7-11-6-8(13-9)12-3-5-15-4-2-10/h6-7H,2-5H2,1H3,(H,12,13)
InChIKeyJKNQIZXUNNCJFY-UHFFFAOYSA-N
MW231.68 g/mol
LogP1.15
Rot. Bonds7

About N-[2-(2-chloroethoxy)ethyl]-6-methoxypyrazin-2-amine

N-[2-(2-chloroethoxy)ethyl]-6-methoxypyrazin-2-amine (PubChem CID 65027262) has the molecular formula C9H14ClN3O2 and a molecular weight of 231.68 g/mol. Its IUPAC name is N-[2-(2-chloroethoxy)ethyl]-6-methoxypyrazin-2-amine.

Molecular Properties

Compound NameN-[2-(2-chloroethoxy)ethyl]-6-methoxypyrazin-2-amine
PubChem CID65027262
Molecular FormulaC9H14ClN3O2
Molecular Weight231.68 g/mol
Exact Mass231.08
IUPAC NameN-[2-(2-chloroethoxy)ethyl]-6-methoxypyrazin-2-amine
SMILESCOc1cncc(NCCOCCCl)n1
InChIInChI=1S/C9H14ClN3O2/c1-14-9-7-11-6-8(13-9)12-3-5-15-4-2-10/h6-7H,2-5H2,1H3,(H,12,13)
InChIKeyJKNQIZXUNNCJFY-UHFFFAOYSA-N
XLogP1.15
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.68
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloroethoxy)ethyl]-6-methoxypyrazin-2-amine?
The IUPAC name of N-[2-(2-chloroethoxy)ethyl]-6-methoxypyrazin-2-amine (CID 65027262) is N-[2-(2-chloroethoxy)ethyl]-6-methoxypyrazin-2-amine.
What is the SMILES notation for N-[2-(2-chloroethoxy)ethyl]-6-methoxypyrazin-2-amine?
The canonical SMILES for N-[2-(2-chloroethoxy)ethyl]-6-methoxypyrazin-2-amine is COc1cncc(NCCOCCCl)n1.
What is the InChIKey of N-[2-(2-chloroethoxy)ethyl]-6-methoxypyrazin-2-amine?
The InChIKey is JKNQIZXUNNCJFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3O2/c1-14-9-7-11-6-8(13-9)12-3-5-15-4-2-10/h6-7H,2-5H2,1H3,(H,12,13).
What are the key properties of N-[2-(2-chloroethoxy)ethyl]-6-methoxypyrazin-2-amine?
N-[2-(2-chloroethoxy)ethyl]-6-methoxypyrazin-2-amine has a molecular weight of 231.68 g/mol, XLogP of 1.15, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloroethoxy)ethyl]-6-methoxypyrazin-2-amine is sourced from PubChem (CID 65027262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).