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

C11H20N2O2 — CID 11020211

IUPAC(2S)-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-/m0/s1
InChIKeyHRAZLOIRFUQOPL-JTQLQIEISA-N
MW212.29 g/mol
LogP1.89
Rot. Bonds3

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

(2S)-3,6-diethoxy-2-propan-2-yl-2,5-dihydropyrazine (PubChem CID 11020211) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is (2S)-3,6-diethoxy-2-propan-2-yl-2,5-dihydropyrazine.

Molecular Properties

Compound Name(2S)-3,6-diethoxy-2-propan-2-yl-2,5-dihydropyrazine
PubChem CID11020211
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name(2S)-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-/m0/s1
InChIKeyHRAZLOIRFUQOPL-JTQLQIEISA-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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Related Compounds

(2S)-2,5-Dihydro-2-isopropyl-3,6-dimethoxypyrazine
CID 736065
(R)-2,5-Dihydro-3,6-dimethoxy-2-isopropylpyrazine
CID 736066
(2R)-3,6-diethoxy-2-(propan-2-yl)-2,5-dihydropyrazine
CID 5325957
2,2-Bis((4S)-(-)-4-isopropyloxazoline)propane
CID 11821563
Bis((S)-4-isopropyl-4,5-dihydrooxazol-2-yl)methane
CID 10955621
2,5-Dihydro-2-isopropyl-3,6-dimethoxypyrazine
CID 3800909
4-Isopropyl-2-[1-(4-isopropyl-4,5-dihydrooxazol-2-yl)-1-methyl-ethyl]-4,5-dihydrooxazole
CID 495275
(2R,5R)-3,6-diethoxy-2,5-dimethyl-2,5-dihydropyrazine
CID 11052601
3,6-Diethoxy-2-(propan-2-yl)-2,5-dihydropyrazine
CID 11127725
(4S)-2,4-di(propan-2-yl)-4,5-dihydro-1,3-oxazole
CID 11228922
(R)-(-)-2,5-dihydro-3,6-dimethoxy-2-isopropyl-5-methylpyrazine
CID 11481040
2,2-Bis[(4R)-4-isopropyl-2-oxazolin-2-yl]propane
CID 12165549

Frequently Asked Questions

What is the IUPAC name of (2S)-3,6-diethoxy-2-propan-2-yl-2,5-dihydropyrazine?
The IUPAC name of (2S)-3,6-diethoxy-2-propan-2-yl-2,5-dihydropyrazine (CID 11020211) is (2S)-3,6-diethoxy-2-propan-2-yl-2,5-dihydropyrazine.
What is the SMILES notation for (2S)-3,6-diethoxy-2-propan-2-yl-2,5-dihydropyrazine?
The canonical SMILES for (2S)-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 (2S)-3,6-diethoxy-2-propan-2-yl-2,5-dihydropyrazine?
The InChIKey is HRAZLOIRFUQOPL-JTQLQIEISA-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-/m0/s1.
What are the key properties of (2S)-3,6-diethoxy-2-propan-2-yl-2,5-dihydropyrazine?
(2S)-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 (2S)-3,6-diethoxy-2-propan-2-yl-2,5-dihydropyrazine is sourced from PubChem (CID 11020211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).