2-[[(2R,5R)-6-(hydroxymethyl)-3-methoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl-dimethylsilyl]ethanol

C14H28N2O3Si — CID 58427192

IUPAC2-[[(2R,5R)-6-(hydroxymethyl)-3-methoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl-dimethylsilyl]ethanol
SMILESCOC1=N[C@H](C(C)C)C(CO)=N[C@H]1C[Si](C)(C)CCO
InChIInChI=1S/C14H28N2O3Si/c1-10(2)13-11(8-18)15-12(14(16-13)19-3)9-20(4,5)7-6-17/h10,12-13,17-18H,6-9H2,1-5H3/t12-,13+/m0/s1
InChIKeyJTQYVKHWIXFLSY-QWHCGFSZSA-N
MW300.48 g/mol
LogP1.57
Rot. Bonds6

About 2-[[(2R,5R)-6-(hydroxymethyl)-3-methoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl-dimethylsilyl]ethanol

2-[[(2R,5R)-6-(hydroxymethyl)-3-methoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl-dimethylsilyl]ethanol (PubChem CID 58427192) has the molecular formula C14H28N2O3Si and a molecular weight of 300.48 g/mol. Its IUPAC name is 2-[[(2R,5R)-6-(hydroxymethyl)-3-methoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl-dimethylsilyl]ethanol.

Molecular Properties

Compound Name2-[[(2R,5R)-6-(hydroxymethyl)-3-methoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl-dimethylsilyl]ethanol
PubChem CID58427192
Molecular FormulaC14H28N2O3Si
Molecular Weight300.48 g/mol
Exact Mass300.19
IUPAC Name2-[[(2R,5R)-6-(hydroxymethyl)-3-methoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl-dimethylsilyl]ethanol
SMILESCOC1=N[C@H](C(C)C)C(CO)=N[C@H]1C[Si](C)(C)CCO
InChIInChI=1S/C14H28N2O3Si/c1-10(2)13-11(8-18)15-12(14(16-13)19-3)9-20(4,5)7-6-17/h10,12-13,17-18H,6-9H2,1-5H3/t12-,13+/m0/s1
InChIKeyJTQYVKHWIXFLSY-QWHCGFSZSA-N
XLogP1.57
TPSA74.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.48
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

CID 58356982
CID 58356982
CID 58427105
CID 58427105
CID 58427174
CID 58427174
CID 68111175
CID 68111175
CID 89467233
CID 89467233
CID 21724604
CID 21724604
CID 21724605
CID 21724605

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R,5R)-6-(hydroxymethyl)-3-methoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl-dimethylsilyl]ethanol?
The IUPAC name of 2-[[(2R,5R)-6-(hydroxymethyl)-3-methoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl-dimethylsilyl]ethanol (CID 58427192) is 2-[[(2R,5R)-6-(hydroxymethyl)-3-methoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl-dimethylsilyl]ethanol.
What is the SMILES notation for 2-[[(2R,5R)-6-(hydroxymethyl)-3-methoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl-dimethylsilyl]ethanol?
The canonical SMILES for 2-[[(2R,5R)-6-(hydroxymethyl)-3-methoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl-dimethylsilyl]ethanol is COC1=N[C@H](C(C)C)C(CO)=N[C@H]1C[Si](C)(C)CCO.
What is the InChIKey of 2-[[(2R,5R)-6-(hydroxymethyl)-3-methoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl-dimethylsilyl]ethanol?
The InChIKey is JTQYVKHWIXFLSY-QWHCGFSZSA-N. The full InChI is InChI=1S/C14H28N2O3Si/c1-10(2)13-11(8-18)15-12(14(16-13)19-3)9-20(4,5)7-6-17/h10,12-13,17-18H,6-9H2,1-5H3/t12-,13+/m0/s1.
What are the key properties of 2-[[(2R,5R)-6-(hydroxymethyl)-3-methoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl-dimethylsilyl]ethanol?
2-[[(2R,5R)-6-(hydroxymethyl)-3-methoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl-dimethylsilyl]ethanol has a molecular weight of 300.48 g/mol, XLogP of 1.57, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R,5R)-6-(hydroxymethyl)-3-methoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl-dimethylsilyl]ethanol is sourced from PubChem (CID 58427192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).