2,5-bis(ethoxymethyl)-3,6-dimethylpyrazine

C12H20N2O2 — CID 141337777

IUPAC2,5-bis(ethoxymethyl)-3,6-dimethylpyrazine
SMILESCCOCc1nc(C)c(COCC)nc1C
InChIInChI=1S/C12H20N2O2/c1-5-15-7-11-9(3)14-12(8-16-6-2)10(4)13-11/h5-8H2,1-4H3
InChIKeyTYGIRZRCNKXNRD-UHFFFAOYSA-N
MW224.30 g/mol
LogP2.17
Rot. Bonds6

About 2,5-bis(ethoxymethyl)-3,6-dimethylpyrazine

2,5-bis(ethoxymethyl)-3,6-dimethylpyrazine (PubChem CID 141337777) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 2,5-bis(ethoxymethyl)-3,6-dimethylpyrazine.

Molecular Properties

Compound Name2,5-bis(ethoxymethyl)-3,6-dimethylpyrazine
PubChem CID141337777
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name2,5-bis(ethoxymethyl)-3,6-dimethylpyrazine
SMILESCCOCc1nc(C)c(COCC)nc1C
InChIInChI=1S/C12H20N2O2/c1-5-15-7-11-9(3)14-12(8-16-6-2)10(4)13-11/h5-8H2,1-4H3
InChIKeyTYGIRZRCNKXNRD-UHFFFAOYSA-N
XLogP2.17
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-Dihydroxymethyl-3,6-dimethylpyrazine
CID 25192030
2-Methylacetate-3,5,6-trimethylpyrazine
CID 85138582
(3,5,6-Trimethylpyrazin-2-yl)methyl 3-methylbutanoate
CID 71467094
(3,5,6-Trimethylpyrazin-2-yl)methyl nitrate
CID 46896474
[5-(Acetyloxymethyl)-3,6-dimethylpyrazin-2-yl]methyl acetate
CID 53346217
2,3,5-Trimethyl-6-[(3,5,6-trimethylpyrazin-2-yl)methoxymethyl]pyrazine
CID 56599739
2,3,5-Trimethyl-6-[(3,5,6-trimethylpyrazin-2-yl)methoxymethoxymethyl]pyrazine
CID 117879067
(3,5,6-trimethylpyrazin-2-yl)methyl N-ethyl-N-methylcarbamate
CID 118266794
1-Chloroethyl (3,5,6-trimethylpyrazin-2-yl)methyl carbonate
CID 122550013
Chloromethyl (3,5,6-trimethylpyrazin-2-yl)methyl carbonate
CID 122550017
2-(1,3-Dioxolan-2-yl)-3,5,6-trimethylpyrazine
CID 122684100
(3,5,6-Trimethylpyrazin-2-yl)methyl 2-methylpropanoate
CID 141222358

Frequently Asked Questions

What is the IUPAC name of 2,5-bis(ethoxymethyl)-3,6-dimethylpyrazine?
The IUPAC name of 2,5-bis(ethoxymethyl)-3,6-dimethylpyrazine (CID 141337777) is 2,5-bis(ethoxymethyl)-3,6-dimethylpyrazine.
What is the SMILES notation for 2,5-bis(ethoxymethyl)-3,6-dimethylpyrazine?
The canonical SMILES for 2,5-bis(ethoxymethyl)-3,6-dimethylpyrazine is CCOCc1nc(C)c(COCC)nc1C.
What is the InChIKey of 2,5-bis(ethoxymethyl)-3,6-dimethylpyrazine?
The InChIKey is TYGIRZRCNKXNRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-5-15-7-11-9(3)14-12(8-16-6-2)10(4)13-11/h5-8H2,1-4H3.
What are the key properties of 2,5-bis(ethoxymethyl)-3,6-dimethylpyrazine?
2,5-bis(ethoxymethyl)-3,6-dimethylpyrazine has a molecular weight of 224.30 g/mol, XLogP of 2.17, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(ethoxymethyl)-3,6-dimethylpyrazine is sourced from PubChem (CID 141337777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).