(2S,5R)-3,6-dimethoxy-2-[(R)-methoxy(phenyl)methyl]-5-propan-2-yl-2,5-dihydropyrazine

C17H24N2O3 — CID 101175356

IUPAC(2S,5R)-3,6-dimethoxy-2-[(R)-methoxy(phenyl)methyl]-5-propan-2-yl-2,5-dihydropyrazine
SMILESCOC1=N[C@H](C(C)C)C(OC)=N[C@H]1[C@H](OC)c1ccccc1
InChIInChI=1S/C17H24N2O3/c1-11(2)13-16(21-4)19-14(17(18-13)22-5)15(20-3)12-9-7-6-8-10-12/h6-11,13-15H,1-5H3/t13-,14+,15-/m1/s1
InChIKeySKWDCMPEPIBMNW-QLFBSQMISA-N
MW304.39 g/mol
LogP2.87
Rot. Bonds4

About (2S,5R)-3,6-dimethoxy-2-[(R)-methoxy(phenyl)methyl]-5-propan-2-yl-2,5-dihydropyrazine

(2S,5R)-3,6-dimethoxy-2-[(R)-methoxy(phenyl)methyl]-5-propan-2-yl-2,5-dihydropyrazine (PubChem CID 101175356) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is (2S,5R)-3,6-dimethoxy-2-[(R)-methoxy(phenyl)methyl]-5-propan-2-yl-2,5-dihydropyrazine.

Molecular Properties

Compound Name(2S,5R)-3,6-dimethoxy-2-[(R)-methoxy(phenyl)methyl]-5-propan-2-yl-2,5-dihydropyrazine
PubChem CID101175356
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name(2S,5R)-3,6-dimethoxy-2-[(R)-methoxy(phenyl)methyl]-5-propan-2-yl-2,5-dihydropyrazine
SMILESCOC1=N[C@H](C(C)C)C(OC)=N[C@H]1[C@H](OC)c1ccccc1
InChIInChI=1S/C17H24N2O3/c1-11(2)13-16(21-4)19-14(17(18-13)22-5)15(20-3)12-9-7-6-8-10-12/h6-11,13-15H,1-5H3/t13-,14+,15-/m1/s1
InChIKeySKWDCMPEPIBMNW-QLFBSQMISA-N
XLogP2.87
TPSA52.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4R,5S,4'R,5'S)-2,2'-Methylenebis(4,5-diphenyl-2-oxazoline)
CID 2818124
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CID 671208
(4S,5S)-(-)-2-Ethyl-5-phenyl-2-oxazoline-4-methanol
CID 11041893
Acetamidine, N-cyclohexyl-2-ethoxy-2-phenyl-
CID 37124
Acetamidine, 2-ethoxy-N-isopropyl-2-phenyl-
CID 39457
Acetamidine, 2-ethoxy-N-hexyl-2-phenyl-
CID 47189
Acetamidine, 2-ethoxy-N-isobutyl-2-phenyl-
CID 47190
Ethoxy-N-(3-methoxypropyl)phenylethanimidamide
CID 47191
Ethoxy(phenyl)-N-propylethanimidamide
CID 47194
N-Butyl(ethoxy)phenylethanimidamide
CID 47200
(4S,5S)-(-)-2-Methyl-5-phenyl-2-oxazoline-4-methanol
CID 719469
(4S)-4-benzyl-2-(3-methylphenyl)-4,5-dihydro-1,3-oxazole
CID 17756895

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-3,6-dimethoxy-2-[(R)-methoxy(phenyl)methyl]-5-propan-2-yl-2,5-dihydropyrazine?
The IUPAC name of (2S,5R)-3,6-dimethoxy-2-[(R)-methoxy(phenyl)methyl]-5-propan-2-yl-2,5-dihydropyrazine (CID 101175356) is (2S,5R)-3,6-dimethoxy-2-[(R)-methoxy(phenyl)methyl]-5-propan-2-yl-2,5-dihydropyrazine.
What is the SMILES notation for (2S,5R)-3,6-dimethoxy-2-[(R)-methoxy(phenyl)methyl]-5-propan-2-yl-2,5-dihydropyrazine?
The canonical SMILES for (2S,5R)-3,6-dimethoxy-2-[(R)-methoxy(phenyl)methyl]-5-propan-2-yl-2,5-dihydropyrazine is COC1=N[C@H](C(C)C)C(OC)=N[C@H]1[C@H](OC)c1ccccc1.
What is the InChIKey of (2S,5R)-3,6-dimethoxy-2-[(R)-methoxy(phenyl)methyl]-5-propan-2-yl-2,5-dihydropyrazine?
The InChIKey is SKWDCMPEPIBMNW-QLFBSQMISA-N. The full InChI is InChI=1S/C17H24N2O3/c1-11(2)13-16(21-4)19-14(17(18-13)22-5)15(20-3)12-9-7-6-8-10-12/h6-11,13-15H,1-5H3/t13-,14+,15-/m1/s1.
What are the key properties of (2S,5R)-3,6-dimethoxy-2-[(R)-methoxy(phenyl)methyl]-5-propan-2-yl-2,5-dihydropyrazine?
(2S,5R)-3,6-dimethoxy-2-[(R)-methoxy(phenyl)methyl]-5-propan-2-yl-2,5-dihydropyrazine has a molecular weight of 304.39 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-3,6-dimethoxy-2-[(R)-methoxy(phenyl)methyl]-5-propan-2-yl-2,5-dihydropyrazine is sourced from PubChem (CID 101175356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).