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

C10H14N2O2 — CID 162418112

IUPAC3-[(2R)-1,4-dioxan-2-yl]-2,5-dimethylpyrazine
SMILESCc1cnc(C)c([C@@H]2COCCO2)n1
InChIInChI=1S/C10H14N2O2/c1-7-5-11-8(2)10(12-7)9-6-13-3-4-14-9/h5,9H,3-4,6H2,1-2H3/t9-/m0/s1
InChIKeyZTLYBHKPMFSTES-VIFPVBQESA-N
MW194.23 g/mol
LogP1.18
Rot. Bonds1

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

3-[(2R)-1,4-dioxan-2-yl]-2,5-dimethylpyrazine (PubChem CID 162418112) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 3-[(2R)-1,4-dioxan-2-yl]-2,5-dimethylpyrazine.

Molecular Properties

Compound Name3-[(2R)-1,4-dioxan-2-yl]-2,5-dimethylpyrazine
PubChem CID162418112
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name3-[(2R)-1,4-dioxan-2-yl]-2,5-dimethylpyrazine
SMILESCc1cnc(C)c([C@@H]2COCCO2)n1
InChIInChI=1S/C10H14N2O2/c1-7-5-11-8(2)10(12-7)9-6-13-3-4-14-9/h5,9H,3-4,6H2,1-2H3/t9-/m0/s1
InChIKeyZTLYBHKPMFSTES-VIFPVBQESA-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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Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-1,4-dioxan-2-yl]-2,5-dimethylpyrazine?
The IUPAC name of 3-[(2R)-1,4-dioxan-2-yl]-2,5-dimethylpyrazine (CID 162418112) is 3-[(2R)-1,4-dioxan-2-yl]-2,5-dimethylpyrazine.
What is the SMILES notation for 3-[(2R)-1,4-dioxan-2-yl]-2,5-dimethylpyrazine?
The canonical SMILES for 3-[(2R)-1,4-dioxan-2-yl]-2,5-dimethylpyrazine is Cc1cnc(C)c([C@@H]2COCCO2)n1.
What is the InChIKey of 3-[(2R)-1,4-dioxan-2-yl]-2,5-dimethylpyrazine?
The InChIKey is ZTLYBHKPMFSTES-VIFPVBQESA-N. The full InChI is InChI=1S/C10H14N2O2/c1-7-5-11-8(2)10(12-7)9-6-13-3-4-14-9/h5,9H,3-4,6H2,1-2H3/t9-/m0/s1.
What are the key properties of 3-[(2R)-1,4-dioxan-2-yl]-2,5-dimethylpyrazine?
3-[(2R)-1,4-dioxan-2-yl]-2,5-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 3-[(2R)-1,4-dioxan-2-yl]-2,5-dimethylpyrazine is sourced from PubChem (CID 162418112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).