(3,5-dimethoxypyrazin-2-yl)-(1,4-oxathian-2-yl)methanol

C11H16N2O4S — CID 113404119

IUPAC(3,5-dimethoxypyrazin-2-yl)-(1,4-oxathian-2-yl)methanol
SMILESCOc1cnc(C(O)C2CSCCO2)c(OC)n1
InChIInChI=1S/C11H16N2O4S/c1-15-8-5-12-9(11(13-8)16-2)10(14)7-6-18-4-3-17-7/h5,7,10,14H,3-4,6H2,1-2H3
InChIKeySDAGHCCOCBYHSB-UHFFFAOYSA-N
MW272.33 g/mol
LogP0.66
Rot. Bonds4

About (3,5-dimethoxypyrazin-2-yl)-(1,4-oxathian-2-yl)methanol

(3,5-dimethoxypyrazin-2-yl)-(1,4-oxathian-2-yl)methanol (PubChem CID 113404119) has the molecular formula C11H16N2O4S and a molecular weight of 272.33 g/mol. Its IUPAC name is (3,5-dimethoxypyrazin-2-yl)-(1,4-oxathian-2-yl)methanol.

Molecular Properties

Compound Name(3,5-dimethoxypyrazin-2-yl)-(1,4-oxathian-2-yl)methanol
PubChem CID113404119
Molecular FormulaC11H16N2O4S
Molecular Weight272.33 g/mol
Exact Mass272.08
IUPAC Name(3,5-dimethoxypyrazin-2-yl)-(1,4-oxathian-2-yl)methanol
SMILESCOc1cnc(C(O)C2CSCCO2)c(OC)n1
InChIInChI=1S/C11H16N2O4S/c1-15-8-5-12-9(11(13-8)16-2)10(14)7-6-18-4-3-17-7/h5,7,10,14H,3-4,6H2,1-2H3
InChIKeySDAGHCCOCBYHSB-UHFFFAOYSA-N
XLogP0.66
TPSA73.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(3,5-dimethoxypyrazin-2-yl)-(1,4-dioxan-2-yl)methanol
CID 115830736
(3,5-dimethoxypyrazin-2-yl)-(thiolan-3-yl)methanol
CID 105123492
[(3,5-dimethoxypyrazin-2-yl)-(1,4-dioxan-2-yl)methyl]hydrazine
CID 105332208
2-cyclopropyl-1-(3,5-dimethoxypyrazin-2-yl)propan-1-ol
CID 115830716
(4-ethoxyphenyl)-(1,4-oxathian-2-yl)methanol
CID 79963801
(2-methyl-1,3-thiazol-4-yl)-(1,4-oxathian-2-yl)methanol
CID 130964765
(3,5-dimethoxypyrazin-2-yl)-(thiolan-3-yl)methanone
CID 105126328
(3,5-dimethoxypyrazin-2-yl)-(1,3-thiazol-4-yl)methanol
CID 113404120
(1-methylimidazol-2-yl)-(1,4-oxathian-2-yl)methanol
CID 79963194
(5-methyl-3-pyridinyl)-(1,4-oxathian-2-yl)methanol
CID 115374196
(3,5-dimethylphenyl)-(1,4-oxathian-2-yl)methanol
CID 79963902
(3,5-dimethoxypyrazin-2-yl)-(1-methylimidazol-4-yl)methanol
CID 107978634

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethoxypyrazin-2-yl)-(1,4-oxathian-2-yl)methanol?
The IUPAC name of (3,5-dimethoxypyrazin-2-yl)-(1,4-oxathian-2-yl)methanol (CID 113404119) is (3,5-dimethoxypyrazin-2-yl)-(1,4-oxathian-2-yl)methanol.
What is the SMILES notation for (3,5-dimethoxypyrazin-2-yl)-(1,4-oxathian-2-yl)methanol?
The canonical SMILES for (3,5-dimethoxypyrazin-2-yl)-(1,4-oxathian-2-yl)methanol is COc1cnc(C(O)C2CSCCO2)c(OC)n1.
What is the InChIKey of (3,5-dimethoxypyrazin-2-yl)-(1,4-oxathian-2-yl)methanol?
The InChIKey is SDAGHCCOCBYHSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4S/c1-15-8-5-12-9(11(13-8)16-2)10(14)7-6-18-4-3-17-7/h5,7,10,14H,3-4,6H2,1-2H3.
What are the key properties of (3,5-dimethoxypyrazin-2-yl)-(1,4-oxathian-2-yl)methanol?
(3,5-dimethoxypyrazin-2-yl)-(1,4-oxathian-2-yl)methanol has a molecular weight of 272.33 g/mol, XLogP of 0.66, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethoxypyrazin-2-yl)-(1,4-oxathian-2-yl)methanol is sourced from PubChem (CID 113404119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).