5-[(2S)-1,4-dioxan-2-yl]-2,3-dimethylpyrazine

C10H14N2O2 — CID 135044773

IUPAC5-[(2S)-1,4-dioxan-2-yl]-2,3-dimethylpyrazine
SMILESCc1ncc([C@H]2COCCO2)nc1C
InChIInChI=1S/C10H14N2O2/c1-7-8(2)12-9(5-11-7)10-6-13-3-4-14-10/h5,10H,3-4,6H2,1-2H3/t10-/m1/s1
InChIKeyXDWZOLZLWILHME-SNVBAGLBSA-N
MW194.23 g/mol
LogP1.18
Rot. Bonds1

About 5-[(2S)-1,4-dioxan-2-yl]-2,3-dimethylpyrazine

5-[(2S)-1,4-dioxan-2-yl]-2,3-dimethylpyrazine (PubChem CID 135044773) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 5-[(2S)-1,4-dioxan-2-yl]-2,3-dimethylpyrazine.

Molecular Properties

Compound Name5-[(2S)-1,4-dioxan-2-yl]-2,3-dimethylpyrazine
PubChem CID135044773
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name5-[(2S)-1,4-dioxan-2-yl]-2,3-dimethylpyrazine
SMILESCc1ncc([C@H]2COCCO2)nc1C
InChIInChI=1S/C10H14N2O2/c1-7-8(2)12-9(5-11-7)10-6-13-3-4-14-10/h5,10H,3-4,6H2,1-2H3/t10-/m1/s1
InChIKeyXDWZOLZLWILHME-SNVBAGLBSA-N
XLogP1.18
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,4-Dioxan-2-yl)pyrazine
CID 67225701
2-(1-Ethoxyethyl)pyrazine
CID 71406239
2-(1-Ethoxyethyl)-6-(trifluoromethyl)pyrazine
CID 170748488
2-[(2S)-1,4-dioxan-2-yl]pyrazine
CID 135043769
3-[(2R)-1,4-dioxan-2-yl]-2,5-dimethylpyrazine
CID 162418112
2,2-Diethoxy-2-pyrazinyl-1-ethanol
CID 572774
2-Ethoxy-2-[6-(2-ethoxy-1,3-dihydroxypropan-2-yl)pyrazin-2-yl]propane-1,3-diol
CID 22457939
2-Ethoxy-2-[5-(2-ethoxy-1,3-dihydroxypropan-2-yl)pyrazin-2-yl]propane-1,3-diol
CID 22458061
2-(Oxiran-2-yl)pyrazine
CID 22906673
[5-(Pyrazin-2-ylmethoxy)-2,5-dihydropyran-6-ylidene]methanone
CID 57268529
2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-methylpyrazine
CID 58328419
2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-methylpyrazine
CID 58328456

Frequently Asked Questions

What is the IUPAC name of 5-[(2S)-1,4-dioxan-2-yl]-2,3-dimethylpyrazine?
The IUPAC name of 5-[(2S)-1,4-dioxan-2-yl]-2,3-dimethylpyrazine (CID 135044773) is 5-[(2S)-1,4-dioxan-2-yl]-2,3-dimethylpyrazine.
What is the SMILES notation for 5-[(2S)-1,4-dioxan-2-yl]-2,3-dimethylpyrazine?
The canonical SMILES for 5-[(2S)-1,4-dioxan-2-yl]-2,3-dimethylpyrazine is Cc1ncc([C@H]2COCCO2)nc1C.
What is the InChIKey of 5-[(2S)-1,4-dioxan-2-yl]-2,3-dimethylpyrazine?
The InChIKey is XDWZOLZLWILHME-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-7-8(2)12-9(5-11-7)10-6-13-3-4-14-10/h5,10H,3-4,6H2,1-2H3/t10-/m1/s1.
What are the key properties of 5-[(2S)-1,4-dioxan-2-yl]-2,3-dimethylpyrazine?
5-[(2S)-1,4-dioxan-2-yl]-2,3-dimethylpyrazine has a molecular weight of 194.23 g/mol, XLogP of 1.18, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S)-1,4-dioxan-2-yl]-2,3-dimethylpyrazine is sourced from PubChem (CID 135044773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).