(2R,5S)-3,6-dimethoxy-2,5-diphenyl-2,5-dihydropyrazine

C18H18N2O2 — CID 139055196

IUPAC(2R,5S)-3,6-dimethoxy-2,5-diphenyl-2,5-dihydropyrazine
SMILESCOC1=N[C@H](c2ccccc2)C(OC)=N[C@H]1c1ccccc1
InChIInChI=1S/C18H18N2O2/c1-21-17-15(13-9-5-3-6-10-13)20-18(22-2)16(19-17)14-11-7-4-8-12-14/h3-12,15-16H,1-2H3/t15-,16+
InChIKeyAMSCJKBTRGICKY-IYBDPMFKSA-N
MW294.35 g/mol
LogP3.57
Rot. Bonds2

About (2R,5S)-3,6-dimethoxy-2,5-diphenyl-2,5-dihydropyrazine

(2R,5S)-3,6-dimethoxy-2,5-diphenyl-2,5-dihydropyrazine (PubChem CID 139055196) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is (2R,5S)-3,6-dimethoxy-2,5-diphenyl-2,5-dihydropyrazine.

Molecular Properties

Compound Name(2R,5S)-3,6-dimethoxy-2,5-diphenyl-2,5-dihydropyrazine
PubChem CID139055196
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name(2R,5S)-3,6-dimethoxy-2,5-diphenyl-2,5-dihydropyrazine
SMILESCOC1=N[C@H](c2ccccc2)C(OC)=N[C@H]1c1ccccc1
InChIInChI=1S/C18H18N2O2/c1-21-17-15(13-9-5-3-6-10-13)20-18(22-2)16(19-17)14-11-7-4-8-12-14/h3-12,15-16H,1-2H3/t15-,16+
InChIKeyAMSCJKBTRGICKY-IYBDPMFKSA-N
XLogP3.57
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(S,S)-2,2'-Isopropylidenebis(4-phenyl-2-oxazoline)
CID 676388
Ph-box, (R,R)-
CID 676390
(S,S)-2,2'-Methylenebis(4-phenyl-2-oxazoline)
CID 736684
(+)-2,2'-Isopropylidenebis[(4R)-4-benzyl-2-oxazoline]
CID 10981320
(4S,4'S)-2,2'-(Pentane-3,3'-diyl)bis(4-benzyl-4,5-dihydrooxazole)
CID 10960121
2,2'-(Propane-2,2-diyl)bis(4-phenyl-4,5-dihydrooxazole)
CID 3957686
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
(3R,6S)-3-Benzyl-6-pentafluorophenyl-methyl-2,5-dimethoxy-3,6-dihydro-pyrazine
CID 100984930
(4R)-4-phenyl-2-(4,4,4-trifluoro-3-methylbutyl)-4,5-dihydro-1,3-oxazole
CID 134858563
(R(R*,R*))-(+)-2,2'-(isopropylidenebis(4-benzyl-2-oxazoline)
CID 4660577
(4S,4'S)-2,2'-(Cyclopropane-1,1-diyl)bis(4-phenyl-4,5-dihydrooxazole)
CID 10496806

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-3,6-dimethoxy-2,5-diphenyl-2,5-dihydropyrazine?
The IUPAC name of (2R,5S)-3,6-dimethoxy-2,5-diphenyl-2,5-dihydropyrazine (CID 139055196) is (2R,5S)-3,6-dimethoxy-2,5-diphenyl-2,5-dihydropyrazine.
What is the SMILES notation for (2R,5S)-3,6-dimethoxy-2,5-diphenyl-2,5-dihydropyrazine?
The canonical SMILES for (2R,5S)-3,6-dimethoxy-2,5-diphenyl-2,5-dihydropyrazine is COC1=N[C@H](c2ccccc2)C(OC)=N[C@H]1c1ccccc1.
What is the InChIKey of (2R,5S)-3,6-dimethoxy-2,5-diphenyl-2,5-dihydropyrazine?
The InChIKey is AMSCJKBTRGICKY-IYBDPMFKSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-21-17-15(13-9-5-3-6-10-13)20-18(22-2)16(19-17)14-11-7-4-8-12-14/h3-12,15-16H,1-2H3/t15-,16+.
What are the key properties of (2R,5S)-3,6-dimethoxy-2,5-diphenyl-2,5-dihydropyrazine?
(2R,5S)-3,6-dimethoxy-2,5-diphenyl-2,5-dihydropyrazine has a molecular weight of 294.35 g/mol, XLogP of 3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-3,6-dimethoxy-2,5-diphenyl-2,5-dihydropyrazine is sourced from PubChem (CID 139055196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).