(2R,5R)-3,6-dimethoxy-2-(2-methyl-3-phenylmethoxypropyl)-5-propan-2-yl-2,5-dihydropyrazine

C20H30N2O3 — CID 57154728

IUPAC(2R,5R)-3,6-dimethoxy-2-(2-methyl-3-phenylmethoxypropyl)-5-propan-2-yl-2,5-dihydropyrazine
SMILESCOC1=N[C@H](C(C)C)C(OC)=N[C@@H]1CC(C)COCc1ccccc1
InChIInChI=1S/C20H30N2O3/c1-14(2)18-20(24-5)21-17(19(22-18)23-4)11-15(3)12-25-13-16-9-7-6-8-10-16/h6-10,14-15,17-18H,11-13H2,1-5H3/t15?,17-,18-/m1/s1
InChIKeyUPZGVIDGRIDUFF-HSFDIDPMSA-N
MW346.47 g/mol
LogP3.73
Rot. Bonds7

About (2R,5R)-3,6-dimethoxy-2-(2-methyl-3-phenylmethoxypropyl)-5-propan-2-yl-2,5-dihydropyrazine

(2R,5R)-3,6-dimethoxy-2-(2-methyl-3-phenylmethoxypropyl)-5-propan-2-yl-2,5-dihydropyrazine (PubChem CID 57154728) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is (2R,5R)-3,6-dimethoxy-2-(2-methyl-3-phenylmethoxypropyl)-5-propan-2-yl-2,5-dihydropyrazine.

Molecular Properties

Compound Name(2R,5R)-3,6-dimethoxy-2-(2-methyl-3-phenylmethoxypropyl)-5-propan-2-yl-2,5-dihydropyrazine
PubChem CID57154728
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Name(2R,5R)-3,6-dimethoxy-2-(2-methyl-3-phenylmethoxypropyl)-5-propan-2-yl-2,5-dihydropyrazine
SMILESCOC1=N[C@H](C(C)C)C(OC)=N[C@@H]1CC(C)COCc1ccccc1
InChIInChI=1S/C20H30N2O3/c1-14(2)18-20(24-5)21-17(19(22-18)23-4)11-15(3)12-25-13-16-9-7-6-8-10-16/h6-10,14-15,17-18H,11-13H2,1-5H3/t15?,17-,18-/m1/s1
InChIKeyUPZGVIDGRIDUFF-HSFDIDPMSA-N
XLogP3.73
TPSA52.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R,3R,4R,5R)-5-[[(2S,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-3,4-bis(phenylmethoxy)oxolan-2-yl]methanamine
CID 135029895
[(2R)-3-iodo-2-methylpropoxy]methylbenzene
CID 10334380
2-[(2R)-2-methyl-3-phenylmethoxypropyl]-1,3-dithiane
CID 10517049
(2S,4S)-2,4-dimethyl-5-phenylmethoxypentanal
CID 25112676
[(2R)-4-bromo-2-methylbutoxy]methylbenzene
CID 174482888
2,2-di(propan-2-yloxy)ethoxymethylbenzene
CID 102410390
[(2R)-2-methylheptoxy]methylbenzene
CID 126666980
(3R)-3-methyl-4-phenylmethoxybutanenitrile
CID 69233531
[3-[1-(bromomethyl)cyclopent-3-en-1-yl]-2-methylpropoxy]methylbenzene
CID 165447178
(2S)-1-phenylmethoxypropan-2-ol;(2R)-1-phenylmethoxypropan-2-ol
CID 162240108
(2S,6S)-6-ethoxy-2-[(2R)-2-methyl-3-phenylmethoxypropyl]-3,6-dihydro-2H-pyran
CID 101171403
(2-ethyl-3-methylbutoxy)methylbenzene
CID 90754542

Frequently Asked Questions

What is the IUPAC name of (2R,5R)-3,6-dimethoxy-2-(2-methyl-3-phenylmethoxypropyl)-5-propan-2-yl-2,5-dihydropyrazine?
The IUPAC name of (2R,5R)-3,6-dimethoxy-2-(2-methyl-3-phenylmethoxypropyl)-5-propan-2-yl-2,5-dihydropyrazine (CID 57154728) is (2R,5R)-3,6-dimethoxy-2-(2-methyl-3-phenylmethoxypropyl)-5-propan-2-yl-2,5-dihydropyrazine.
What is the SMILES notation for (2R,5R)-3,6-dimethoxy-2-(2-methyl-3-phenylmethoxypropyl)-5-propan-2-yl-2,5-dihydropyrazine?
The canonical SMILES for (2R,5R)-3,6-dimethoxy-2-(2-methyl-3-phenylmethoxypropyl)-5-propan-2-yl-2,5-dihydropyrazine is COC1=N[C@H](C(C)C)C(OC)=N[C@@H]1CC(C)COCc1ccccc1.
What is the InChIKey of (2R,5R)-3,6-dimethoxy-2-(2-methyl-3-phenylmethoxypropyl)-5-propan-2-yl-2,5-dihydropyrazine?
The InChIKey is UPZGVIDGRIDUFF-HSFDIDPMSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-14(2)18-20(24-5)21-17(19(22-18)23-4)11-15(3)12-25-13-16-9-7-6-8-10-16/h6-10,14-15,17-18H,11-13H2,1-5H3/t15?,17-,18-/m1/s1.
What are the key properties of (2R,5R)-3,6-dimethoxy-2-(2-methyl-3-phenylmethoxypropyl)-5-propan-2-yl-2,5-dihydropyrazine?
(2R,5R)-3,6-dimethoxy-2-(2-methyl-3-phenylmethoxypropyl)-5-propan-2-yl-2,5-dihydropyrazine has a molecular weight of 346.47 g/mol, XLogP of 3.73, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-3,6-dimethoxy-2-(2-methyl-3-phenylmethoxypropyl)-5-propan-2-yl-2,5-dihydropyrazine is sourced from PubChem (CID 57154728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).