[(2R,5R)-5-[[2-chloroethyl(dimethyl)silyl]methyl]-6-methoxy-2-propan-2-yl-2,5-dihydropyrazin-3-yl]methanol

C14H27ClN2O2Si — CID 58427174

IUPAC[(2R,5R)-5-[[2-chloroethyl(dimethyl)silyl]methyl]-6-methoxy-2-propan-2-yl-2,5-dihydropyrazin-3-yl]methanol
SMILESCOC1=N[C@H](C(C)C)C(CO)=N[C@H]1C[Si](C)(C)CCCl
InChIInChI=1S/C14H27ClN2O2Si/c1-10(2)13-11(8-18)16-12(14(17-13)19-3)9-20(4,5)7-6-15/h10,12-13,18H,6-9H2,1-5H3/t12-,13+/m0/s1
InChIKeyGYNXBKQOIFTPET-QWHCGFSZSA-N
MW318.92 g/mol
LogP2.82
Rot. Bonds6

About [(2R,5R)-5-[[2-chloroethyl(dimethyl)silyl]methyl]-6-methoxy-2-propan-2-yl-2,5-dihydropyrazin-3-yl]methanol

[(2R,5R)-5-[[2-chloroethyl(dimethyl)silyl]methyl]-6-methoxy-2-propan-2-yl-2,5-dihydropyrazin-3-yl]methanol (PubChem CID 58427174) has the molecular formula C14H27ClN2O2Si and a molecular weight of 318.92 g/mol. Its IUPAC name is [(2R,5R)-5-[[2-chloroethyl(dimethyl)silyl]methyl]-6-methoxy-2-propan-2-yl-2,5-dihydropyrazin-3-yl]methanol.

Molecular Properties

Compound Name[(2R,5R)-5-[[2-chloroethyl(dimethyl)silyl]methyl]-6-methoxy-2-propan-2-yl-2,5-dihydropyrazin-3-yl]methanol
PubChem CID58427174
Molecular FormulaC14H27ClN2O2Si
Molecular Weight318.92 g/mol
Exact Mass318.15
IUPAC Name[(2R,5R)-5-[[2-chloroethyl(dimethyl)silyl]methyl]-6-methoxy-2-propan-2-yl-2,5-dihydropyrazin-3-yl]methanol
SMILESCOC1=N[C@H](C(C)C)C(CO)=N[C@H]1C[Si](C)(C)CCCl
InChIInChI=1S/C14H27ClN2O2Si/c1-10(2)13-11(8-18)16-12(14(17-13)19-3)9-20(4,5)7-6-15/h10,12-13,18H,6-9H2,1-5H3/t12-,13+/m0/s1
InChIKeyGYNXBKQOIFTPET-QWHCGFSZSA-N
XLogP2.82
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.92
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2R,5R)-5-[[2-chloroethyl(dimethyl)silyl]methyl]-6-methoxy-2-propan-2-yl-2,5-dihydropyrazin-3-yl]methanol?
The IUPAC name of [(2R,5R)-5-[[2-chloroethyl(dimethyl)silyl]methyl]-6-methoxy-2-propan-2-yl-2,5-dihydropyrazin-3-yl]methanol (CID 58427174) is [(2R,5R)-5-[[2-chloroethyl(dimethyl)silyl]methyl]-6-methoxy-2-propan-2-yl-2,5-dihydropyrazin-3-yl]methanol.
What is the SMILES notation for [(2R,5R)-5-[[2-chloroethyl(dimethyl)silyl]methyl]-6-methoxy-2-propan-2-yl-2,5-dihydropyrazin-3-yl]methanol?
The canonical SMILES for [(2R,5R)-5-[[2-chloroethyl(dimethyl)silyl]methyl]-6-methoxy-2-propan-2-yl-2,5-dihydropyrazin-3-yl]methanol is COC1=N[C@H](C(C)C)C(CO)=N[C@H]1C[Si](C)(C)CCCl.
What is the InChIKey of [(2R,5R)-5-[[2-chloroethyl(dimethyl)silyl]methyl]-6-methoxy-2-propan-2-yl-2,5-dihydropyrazin-3-yl]methanol?
The InChIKey is GYNXBKQOIFTPET-QWHCGFSZSA-N. The full InChI is InChI=1S/C14H27ClN2O2Si/c1-10(2)13-11(8-18)16-12(14(17-13)19-3)9-20(4,5)7-6-15/h10,12-13,18H,6-9H2,1-5H3/t12-,13+/m0/s1.
What are the key properties of [(2R,5R)-5-[[2-chloroethyl(dimethyl)silyl]methyl]-6-methoxy-2-propan-2-yl-2,5-dihydropyrazin-3-yl]methanol?
[(2R,5R)-5-[[2-chloroethyl(dimethyl)silyl]methyl]-6-methoxy-2-propan-2-yl-2,5-dihydropyrazin-3-yl]methanol has a molecular weight of 318.92 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,5R)-5-[[2-chloroethyl(dimethyl)silyl]methyl]-6-methoxy-2-propan-2-yl-2,5-dihydropyrazin-3-yl]methanol is sourced from PubChem (CID 58427174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).