N-ethyl-6-(oxan-4-yloxy)pyrazin-2-amine

C11H17N3O2 — CID 80873136

IUPACN-ethyl-6-(oxan-4-yloxy)pyrazin-2-amine
SMILESCCNc1cncc(OC2CCOCC2)n1
InChIInChI=1S/C11H17N3O2/c1-2-13-10-7-12-8-11(14-10)16-9-3-5-15-6-4-9/h7-9H,2-6H2,1H3,(H,13,14)
InChIKeyDNYMGTGWBCGMRC-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.47
Rot. Bonds4

About N-ethyl-6-(oxan-4-yloxy)pyrazin-2-amine

N-ethyl-6-(oxan-4-yloxy)pyrazin-2-amine (PubChem CID 80873136) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is N-ethyl-6-(oxan-4-yloxy)pyrazin-2-amine.

Molecular Properties

Compound NameN-ethyl-6-(oxan-4-yloxy)pyrazin-2-amine
PubChem CID80873136
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC NameN-ethyl-6-(oxan-4-yloxy)pyrazin-2-amine
SMILESCCNc1cncc(OC2CCOCC2)n1
InChIInChI=1S/C11H17N3O2/c1-2-13-10-7-12-8-11(14-10)16-9-3-5-15-6-4-9/h7-9H,2-6H2,1H3,(H,13,14)
InChIKeyDNYMGTGWBCGMRC-UHFFFAOYSA-N
XLogP1.47
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-(oxan-4-yloxy)pyrazin-2-amine?
The IUPAC name of N-ethyl-6-(oxan-4-yloxy)pyrazin-2-amine (CID 80873136) is N-ethyl-6-(oxan-4-yloxy)pyrazin-2-amine.
What is the SMILES notation for N-ethyl-6-(oxan-4-yloxy)pyrazin-2-amine?
The canonical SMILES for N-ethyl-6-(oxan-4-yloxy)pyrazin-2-amine is CCNc1cncc(OC2CCOCC2)n1.
What is the InChIKey of N-ethyl-6-(oxan-4-yloxy)pyrazin-2-amine?
The InChIKey is DNYMGTGWBCGMRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-2-13-10-7-12-8-11(14-10)16-9-3-5-15-6-4-9/h7-9H,2-6H2,1H3,(H,13,14).
What are the key properties of N-ethyl-6-(oxan-4-yloxy)pyrazin-2-amine?
N-ethyl-6-(oxan-4-yloxy)pyrazin-2-amine has a molecular weight of 223.28 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-(oxan-4-yloxy)pyrazin-2-amine is sourced from PubChem (CID 80873136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).