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78342-42-4 | (S)-2,5-Dihydro-3,6-dimethoxy-2-isopropylpyrazine
CAS No: 78342-42-4 Catalog No: AG0032GP MDL No:MFCD00066229
Product Description
Catalog Number:
AG0032GP
Chemical Name:
(S)-2,5-Dihydro-3,6-dimethoxy-2-isopropylpyrazine
CAS Number:
78342-42-4
Molecular Formula:
C9H16N2O2
Molecular Weight:
184.2355
MDL Number:
MFCD00066229
IUPAC Name:
(2S)-3,6-dimethoxy-2-propan-2-yl-2,5-dihydropyrazine
InChI:
InChI=1S/C9H16N2O2/c1-6(2)8-9(13-4)10-5-7(11-8)12-3/h6,8H,5H2,1-4H3/t8-/m0/s1
InChI Key:
FCFWEOGTZZPCTO-QMMMGPOBSA-N
SMILES:
COC1=N[C@H](C(=NC1)OC)C(C)C
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
184.121g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
184.239g/mol
Monoisotopic Mass:
184.121g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
43.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
Literature
| Title | Journal |
|---|---|
| Diastereoselective synthesis and configuration-dependent activity of (3-substituted-cycloalkyl)glycine pyrrolidides and thiazolidides as dipeptidyl peptidase IV inhibitors. | Bioorganic & medicinal chemistry letters 20040223 |
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