(2S,5R)-3,6-dimethoxy-5-methyl-5-[(E)-3-phenylprop-2-enyl]-2-propan-2-yl-2H-pyrazine

C19H26N2O2 — CID 134918509

IUPAC(2S,5R)-3,6-dimethoxy-5-methyl-5-[(E)-3-phenylprop-2-enyl]-2-propan-2-yl-2H-pyrazine
SMILESCOC1=N[C@](C)(C/C=C/c2ccccc2)C(OC)=N[C@H]1C(C)C
InChIInChI=1S/C19H26N2O2/c1-14(2)16-17(22-4)21-19(3,18(20-16)23-5)13-9-12-15-10-7-6-8-11-15/h6-12,14,16H,13H2,1-5H3/b12-9+/t16-,19+/m0/s1
InChIKeyHVXMXQNCMYKTGN-KVOXRTSWSA-N
MW314.43 g/mol
LogP3.98
Rot. Bonds4

About (2S,5R)-3,6-dimethoxy-5-methyl-5-[(E)-3-phenylprop-2-enyl]-2-propan-2-yl-2H-pyrazine

(2S,5R)-3,6-dimethoxy-5-methyl-5-[(E)-3-phenylprop-2-enyl]-2-propan-2-yl-2H-pyrazine (PubChem CID 134918509) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is (2S,5R)-3,6-dimethoxy-5-methyl-5-[(E)-3-phenylprop-2-enyl]-2-propan-2-yl-2H-pyrazine.

Molecular Properties

Compound Name(2S,5R)-3,6-dimethoxy-5-methyl-5-[(E)-3-phenylprop-2-enyl]-2-propan-2-yl-2H-pyrazine
PubChem CID134918509
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Name(2S,5R)-3,6-dimethoxy-5-methyl-5-[(E)-3-phenylprop-2-enyl]-2-propan-2-yl-2H-pyrazine
SMILESCOC1=N[C@](C)(C/C=C/c2ccccc2)C(OC)=N[C@H]1C(C)C
InChIInChI=1S/C19H26N2O2/c1-14(2)16-17(22-4)21-19(3,18(20-16)23-5)13-9-12-15-10-7-6-8-11-15/h6-12,14,16H,13H2,1-5H3/b12-9+/t16-,19+/m0/s1
InChIKeyHVXMXQNCMYKTGN-KVOXRTSWSA-N
XLogP3.98
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Pyrazine, 2,5-dihydro-3,6-dimethoxy-2-(1-methylethyl)-5-[(2,4,5-trifluorophenyl)methyl]-, (2S,5R)-
CID 11290377
(2S)-3,6-dimethoxy-2-propan-2-yl-5-[(2,4,5-trifluorophenyl)methyl]-2,5-dihydropyrazine
CID 89867549
(2S,5R)-2,5-dihydro-2-isopropyl-3,6-dimethoxy-5-benzyl-5-methylpyrazine
CID 10989847
(2R,5S)-2-[(2,5-difluorophenyl)methyl]-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazine
CID 11232137
(2S,5R)-3,6-dimethoxy-2-(propan-2-yl)-5-[(2,4,5-trifluorophenyl)methyl]-2,5-dihydropyrazine
CID 53442579
(2R,5S)-2-Isopropyl-3,6-dimethoxy-5-(4,4,4-trifluoro-3-phenyl-butyl)-2,5-dihydro-pyrazine
CID 67177689
(2S,5R)-2-[(3,5-difluorophenyl)methyl]-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazine
CID 69043559
2-[(2,5-Difluorophenyl)methyl]-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazine
CID 72761555
(2S,5R)-3-methoxy-6-methyl-2-propan-2-yl-5-[(2,4,5-trifluorophenyl)methyl]-2,5-dihydropyrazine
CID 89575799
3,6-Dimethoxy-2-propan-2-yl-5-[2-(2,4,5-trifluorophenyl)ethynyl]-2,5-dihydropyrazine
CID 123930003
(2S,5R)-2-[(2,5-difluorophenyl)methyl]-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazine
CID 155270875
(2S)-2-[(2,5-difluorophenyl)methyl]-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazine
CID 155280383

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-3,6-dimethoxy-5-methyl-5-[(E)-3-phenylprop-2-enyl]-2-propan-2-yl-2H-pyrazine?
The IUPAC name of (2S,5R)-3,6-dimethoxy-5-methyl-5-[(E)-3-phenylprop-2-enyl]-2-propan-2-yl-2H-pyrazine (CID 134918509) is (2S,5R)-3,6-dimethoxy-5-methyl-5-[(E)-3-phenylprop-2-enyl]-2-propan-2-yl-2H-pyrazine.
What is the SMILES notation for (2S,5R)-3,6-dimethoxy-5-methyl-5-[(E)-3-phenylprop-2-enyl]-2-propan-2-yl-2H-pyrazine?
The canonical SMILES for (2S,5R)-3,6-dimethoxy-5-methyl-5-[(E)-3-phenylprop-2-enyl]-2-propan-2-yl-2H-pyrazine is COC1=N[C@](C)(C/C=C/c2ccccc2)C(OC)=N[C@H]1C(C)C.
What is the InChIKey of (2S,5R)-3,6-dimethoxy-5-methyl-5-[(E)-3-phenylprop-2-enyl]-2-propan-2-yl-2H-pyrazine?
The InChIKey is HVXMXQNCMYKTGN-KVOXRTSWSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-14(2)16-17(22-4)21-19(3,18(20-16)23-5)13-9-12-15-10-7-6-8-11-15/h6-12,14,16H,13H2,1-5H3/b12-9+/t16-,19+/m0/s1.
What are the key properties of (2S,5R)-3,6-dimethoxy-5-methyl-5-[(E)-3-phenylprop-2-enyl]-2-propan-2-yl-2H-pyrazine?
(2S,5R)-3,6-dimethoxy-5-methyl-5-[(E)-3-phenylprop-2-enyl]-2-propan-2-yl-2H-pyrazine has a molecular weight of 314.43 g/mol, XLogP of 3.98, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-3,6-dimethoxy-5-methyl-5-[(E)-3-phenylprop-2-enyl]-2-propan-2-yl-2H-pyrazine is sourced from PubChem (CID 134918509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).