(2R,5R)-3,6-diethoxy-2,5-dimethyl-2,5-dihydropyrazine

C10H18N2O2 — CID 11052601

IUPAC(2R,5R)-3,6-diethoxy-2,5-dimethyl-2,5-dihydropyrazine
SMILESCCOC1=N[C@H](C)C(OCC)=N[C@@H]1C
InChIInChI=1S/C10H18N2O2/c1-5-13-9-7(3)12-10(14-6-2)8(4)11-9/h7-8H,5-6H2,1-4H3/t7-,8-/m1/s1
InChIKeyQUTCCXQYVFPNOZ-HTQZYQBOSA-N
MW198.27 g/mol
LogP1.65
Rot. Bonds2

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

(2R,5R)-3,6-diethoxy-2,5-dimethyl-2,5-dihydropyrazine (PubChem CID 11052601) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is (2R,5R)-3,6-diethoxy-2,5-dimethyl-2,5-dihydropyrazine.

Molecular Properties

Compound Name(2R,5R)-3,6-diethoxy-2,5-dimethyl-2,5-dihydropyrazine
PubChem CID11052601
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name(2R,5R)-3,6-diethoxy-2,5-dimethyl-2,5-dihydropyrazine
SMILESCCOC1=N[C@H](C)C(OCC)=N[C@@H]1C
InChIInChI=1S/C10H18N2O2/c1-5-13-9-7(3)12-10(14-6-2)8(4)11-9/h7-8H,5-6H2,1-4H3/t7-,8-/m1/s1
InChIKeyQUTCCXQYVFPNOZ-HTQZYQBOSA-N
XLogP1.65
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,5R)-3,6-diethoxy-2,5-dimethyl-2,5-dihydropyrazine?
The IUPAC name of (2R,5R)-3,6-diethoxy-2,5-dimethyl-2,5-dihydropyrazine (CID 11052601) is (2R,5R)-3,6-diethoxy-2,5-dimethyl-2,5-dihydropyrazine.
What is the SMILES notation for (2R,5R)-3,6-diethoxy-2,5-dimethyl-2,5-dihydropyrazine?
The canonical SMILES for (2R,5R)-3,6-diethoxy-2,5-dimethyl-2,5-dihydropyrazine is CCOC1=N[C@H](C)C(OCC)=N[C@@H]1C.
What is the InChIKey of (2R,5R)-3,6-diethoxy-2,5-dimethyl-2,5-dihydropyrazine?
The InChIKey is QUTCCXQYVFPNOZ-HTQZYQBOSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-5-13-9-7(3)12-10(14-6-2)8(4)11-9/h7-8H,5-6H2,1-4H3/t7-,8-/m1/s1.
What are the key properties of (2R,5R)-3,6-diethoxy-2,5-dimethyl-2,5-dihydropyrazine?
(2R,5R)-3,6-diethoxy-2,5-dimethyl-2,5-dihydropyrazine has a molecular weight of 198.27 g/mol, XLogP of 1.65, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-3,6-diethoxy-2,5-dimethyl-2,5-dihydropyrazine is sourced from PubChem (CID 11052601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).