(2R)-3,6-diethoxy-2-propan-2-yl-2,5-dihydropyrazine

C11H20N2O2 — CID 5325957

IUPAC(2R)-3,6-diethoxy-2-propan-2-yl-2,5-dihydropyrazine
SMILESCCOC1=N[C@H](C(C)C)C(OCC)=NC1
InChIInChI=1S/C11H20N2O2/c1-5-14-9-7-12-11(15-6-2)10(13-9)8(3)4/h8,10H,5-7H2,1-4H3/t10-/m1/s1
InChIKeyHRAZLOIRFUQOPL-SNVBAGLBSA-N
MW212.29 g/mol
LogP1.89
Rot. Bonds3

About (2R)-3,6-diethoxy-2-propan-2-yl-2,5-dihydropyrazine

(2R)-3,6-diethoxy-2-propan-2-yl-2,5-dihydropyrazine (PubChem CID 5325957) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is (2R)-3,6-diethoxy-2-propan-2-yl-2,5-dihydropyrazine.

Molecular Properties

Compound Name(2R)-3,6-diethoxy-2-propan-2-yl-2,5-dihydropyrazine
PubChem CID5325957
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name(2R)-3,6-diethoxy-2-propan-2-yl-2,5-dihydropyrazine
SMILESCCOC1=N[C@H](C(C)C)C(OCC)=NC1
InChIInChI=1S/C11H20N2O2/c1-5-14-9-7-12-11(15-6-2)10(13-9)8(3)4/h8,10H,5-7H2,1-4H3/t10-/m1/s1
InChIKeyHRAZLOIRFUQOPL-SNVBAGLBSA-N
XLogP1.89
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-3,6-diethoxy-2-propan-2-yl-2,5-dihydropyrazine?
The IUPAC name of (2R)-3,6-diethoxy-2-propan-2-yl-2,5-dihydropyrazine (CID 5325957) is (2R)-3,6-diethoxy-2-propan-2-yl-2,5-dihydropyrazine.
What is the SMILES notation for (2R)-3,6-diethoxy-2-propan-2-yl-2,5-dihydropyrazine?
The canonical SMILES for (2R)-3,6-diethoxy-2-propan-2-yl-2,5-dihydropyrazine is CCOC1=N[C@H](C(C)C)C(OCC)=NC1.
What is the InChIKey of (2R)-3,6-diethoxy-2-propan-2-yl-2,5-dihydropyrazine?
The InChIKey is HRAZLOIRFUQOPL-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-5-14-9-7-12-11(15-6-2)10(13-9)8(3)4/h8,10H,5-7H2,1-4H3/t10-/m1/s1.
What are the key properties of (2R)-3,6-diethoxy-2-propan-2-yl-2,5-dihydropyrazine?
(2R)-3,6-diethoxy-2-propan-2-yl-2,5-dihydropyrazine has a molecular weight of 212.29 g/mol, XLogP of 1.89, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3,6-diethoxy-2-propan-2-yl-2,5-dihydropyrazine is sourced from PubChem (CID 5325957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).