(2S,5S)-2,5-dibenzyl-3,6-dimethoxy-2,5-dihydropyrazine

C20H22N2O2 — CID 100984928

IUPAC(2S,5S)-2,5-dibenzyl-3,6-dimethoxy-2,5-dihydropyrazine
SMILESCOC1=N[C@@H](Cc2ccccc2)C(OC)=N[C@H]1Cc1ccccc1
InChIInChI=1S/C20H22N2O2/c1-23-19-17(13-15-9-5-3-6-10-15)22-20(24-2)18(21-19)14-16-11-7-4-8-12-16/h3-12,17-18H,13-14H2,1-2H3/t17-,18-/m0/s1
InChIKeyOGAATMYUPQAPEC-ROUUACIJSA-N
MW322.41 g/mol
LogP3.31
Rot. Bonds4

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

(2S,5S)-2,5-dibenzyl-3,6-dimethoxy-2,5-dihydropyrazine (PubChem CID 100984928) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is (2S,5S)-2,5-dibenzyl-3,6-dimethoxy-2,5-dihydropyrazine.

Molecular Properties

Compound Name(2S,5S)-2,5-dibenzyl-3,6-dimethoxy-2,5-dihydropyrazine
PubChem CID100984928
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name(2S,5S)-2,5-dibenzyl-3,6-dimethoxy-2,5-dihydropyrazine
SMILESCOC1=N[C@@H](Cc2ccccc2)C(OC)=N[C@H]1Cc1ccccc1
InChIInChI=1S/C20H22N2O2/c1-23-19-17(13-15-9-5-3-6-10-15)22-20(24-2)18(21-19)14-16-11-7-4-8-12-16/h3-12,17-18H,13-14H2,1-2H3/t17-,18-/m0/s1
InChIKeyOGAATMYUPQAPEC-ROUUACIJSA-N
XLogP3.31
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.31
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)-4,4'-Dibenzyl-2,2'-bi(2-oxazoline)
CID 697622
AG-H-02521
CID 5325154
(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
(4S)-4-benzyl-2-[(E)-2-phenylethenyl]-4,5-dihydro-1,3-oxazole
CID 102142832
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
rel-(R,S)-4,4'-DiBenzyl-4,4',5,5'-tetrahydro-2,2'-bioxazole
CID 697917

Frequently Asked Questions

What is the IUPAC name of (2S,5S)-2,5-dibenzyl-3,6-dimethoxy-2,5-dihydropyrazine?
The IUPAC name of (2S,5S)-2,5-dibenzyl-3,6-dimethoxy-2,5-dihydropyrazine (CID 100984928) is (2S,5S)-2,5-dibenzyl-3,6-dimethoxy-2,5-dihydropyrazine.
What is the SMILES notation for (2S,5S)-2,5-dibenzyl-3,6-dimethoxy-2,5-dihydropyrazine?
The canonical SMILES for (2S,5S)-2,5-dibenzyl-3,6-dimethoxy-2,5-dihydropyrazine is COC1=N[C@@H](Cc2ccccc2)C(OC)=N[C@H]1Cc1ccccc1.
What is the InChIKey of (2S,5S)-2,5-dibenzyl-3,6-dimethoxy-2,5-dihydropyrazine?
The InChIKey is OGAATMYUPQAPEC-ROUUACIJSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-23-19-17(13-15-9-5-3-6-10-15)22-20(24-2)18(21-19)14-16-11-7-4-8-12-16/h3-12,17-18H,13-14H2,1-2H3/t17-,18-/m0/s1.
What are the key properties of (2S,5S)-2,5-dibenzyl-3,6-dimethoxy-2,5-dihydropyrazine?
(2S,5S)-2,5-dibenzyl-3,6-dimethoxy-2,5-dihydropyrazine has a molecular weight of 322.41 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-2,5-dibenzyl-3,6-dimethoxy-2,5-dihydropyrazine is sourced from PubChem (CID 100984928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).