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

C11H16N2O5 — CID 115830736

IUPAC(3,5-dimethoxypyrazin-2-yl)-(1,4-dioxan-2-yl)methanol
SMILESCOc1cnc(C(O)C2COCCO2)c(OC)n1
InChIInChI=1S/C11H16N2O5/c1-15-8-5-12-9(11(13-8)16-2)10(14)7-6-17-3-4-18-7/h5,7,10,14H,3-4,6H2,1-2H3
InChIKeyRXTJOJIYKMEULX-UHFFFAOYSA-N
MW256.26 g/mol
LogP-0.06
Rot. Bonds4

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

(3,5-dimethoxypyrazin-2-yl)-(1,4-dioxan-2-yl)methanol (PubChem CID 115830736) has the molecular formula C11H16N2O5 and a molecular weight of 256.26 g/mol. Its IUPAC name is (3,5-dimethoxypyrazin-2-yl)-(1,4-dioxan-2-yl)methanol.

Molecular Properties

Compound Name(3,5-dimethoxypyrazin-2-yl)-(1,4-dioxan-2-yl)methanol
PubChem CID115830736
Molecular FormulaC11H16N2O5
Molecular Weight256.26 g/mol
Exact Mass256.11
IUPAC Name(3,5-dimethoxypyrazin-2-yl)-(1,4-dioxan-2-yl)methanol
SMILESCOc1cnc(C(O)C2COCCO2)c(OC)n1
InChIInChI=1S/C11H16N2O5/c1-15-8-5-12-9(11(13-8)16-2)10(14)7-6-17-3-4-18-7/h5,7,10,14H,3-4,6H2,1-2H3
InChIKeyRXTJOJIYKMEULX-UHFFFAOYSA-N
XLogP-0.06
TPSA82.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[(3,5-dimethoxypyrazin-2-yl)-(1,4-dioxan-2-yl)methyl]hydrazine
CID 105332208
(3,5-dimethoxypyrazin-2-yl)-(1,4-oxathian-2-yl)methanol
CID 113404119
(3,5-dimethoxypyrazin-2-yl)-(thiolan-3-yl)methanol
CID 105123492
2-cyclopropyl-1-(3,5-dimethoxypyrazin-2-yl)propan-1-ol
CID 115830716
1-(3,5-dimethoxypyrazin-2-yl)-2-methylpropan-1-amine
CID 105031303
1-(3,5-dimethoxypyrazin-2-yl)-N-methyl-2-(oxolan-2-yl)ethanamine
CID 105031020
(3,5-dimethoxypyrazin-2-yl)-(1-methylimidazol-4-yl)methanol
CID 107978634
1,4-dioxan-2-yl-(1-ethyl-4-methoxypyrazol-5-yl)methanol
CID 115837206
1-(3,5-dimethoxypyrazin-2-yl)-2-methoxy-3-methylbutan-1-ol
CID 116711920
1-(3,5-dimethoxypyrazin-2-yl)-2,3,3-trimethylbutan-1-ol
CID 114270663
1-(3,5-dimethoxypyrazin-2-yl)-2-methoxypropan-1-amine
CID 105178309
(3,5-dimethoxypyrazin-2-yl)-(1-methoxycyclohexyl)methanol
CID 116753341

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethoxypyrazin-2-yl)-(1,4-dioxan-2-yl)methanol?
The IUPAC name of (3,5-dimethoxypyrazin-2-yl)-(1,4-dioxan-2-yl)methanol (CID 115830736) is (3,5-dimethoxypyrazin-2-yl)-(1,4-dioxan-2-yl)methanol.
What is the SMILES notation for (3,5-dimethoxypyrazin-2-yl)-(1,4-dioxan-2-yl)methanol?
The canonical SMILES for (3,5-dimethoxypyrazin-2-yl)-(1,4-dioxan-2-yl)methanol is COc1cnc(C(O)C2COCCO2)c(OC)n1.
What is the InChIKey of (3,5-dimethoxypyrazin-2-yl)-(1,4-dioxan-2-yl)methanol?
The InChIKey is RXTJOJIYKMEULX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O5/c1-15-8-5-12-9(11(13-8)16-2)10(14)7-6-17-3-4-18-7/h5,7,10,14H,3-4,6H2,1-2H3.
What are the key properties of (3,5-dimethoxypyrazin-2-yl)-(1,4-dioxan-2-yl)methanol?
(3,5-dimethoxypyrazin-2-yl)-(1,4-dioxan-2-yl)methanol has a molecular weight of 256.26 g/mol, XLogP of -0.06, 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-dioxan-2-yl)methanol is sourced from PubChem (CID 115830736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).