2-(dimethoxymethyl)-5,6-bis(methoxymethyl)-3-methylpyrazine

C12H20N2O4 — CID 121002156

IUPAC2-(dimethoxymethyl)-5,6-bis(methoxymethyl)-3-methylpyrazine
SMILESCOCc1nc(C)c(C(OC)OC)nc1COC
InChIInChI=1S/C12H20N2O4/c1-8-11(12(17-4)18-5)14-10(7-16-3)9(13-8)6-15-2/h12H,6-7H2,1-5H3
InChIKeyNVPWNKPDDPQBHA-UHFFFAOYSA-N
MW256.30 g/mol
LogP1.37
Rot. Bonds7

About 2-(dimethoxymethyl)-5,6-bis(methoxymethyl)-3-methylpyrazine

2-(dimethoxymethyl)-5,6-bis(methoxymethyl)-3-methylpyrazine (PubChem CID 121002156) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is 2-(dimethoxymethyl)-5,6-bis(methoxymethyl)-3-methylpyrazine.

Molecular Properties

Compound Name2-(dimethoxymethyl)-5,6-bis(methoxymethyl)-3-methylpyrazine
PubChem CID121002156
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name2-(dimethoxymethyl)-5,6-bis(methoxymethyl)-3-methylpyrazine
SMILESCOCc1nc(C)c(C(OC)OC)nc1COC
InChIInChI=1S/C12H20N2O4/c1-8-11(12(17-4)18-5)14-10(7-16-3)9(13-8)6-15-2/h12H,6-7H2,1-5H3
InChIKeyNVPWNKPDDPQBHA-UHFFFAOYSA-N
XLogP1.37
TPSA62.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-Methylacetate-3,5,6-trimethylpyrazine
CID 85138582
[5-(Acetyloxymethyl)-3,6-dimethylpyrazin-2-yl]methyl acetate
CID 53346217
2,3,5-Trimethyl-6-[(3,5,6-trimethylpyrazin-2-yl)methoxymethoxymethyl]pyrazine
CID 117879067
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 propanoate
CID 141222359
(3,5,6-Trimethylpyrazin-2-yl)methyl butanoate
CID 141222364
2,5-Bis(ethoxymethyl)-3,6-dimethylpyrazine
CID 141337777
3,3-Dimethylbutan-2-yl (3,5,6-trimethylpyrazin-2-yl)methyl carbonate
CID 145154454
Ethyl (3,5,6-trimethylpyrazin-2-yl)methyl carbonate
CID 145154455
2-(Bromomethyl)-5-(1,3-dioxolan-2-yl)-3,6-dimethylpyrazine
CID 145226180

Frequently Asked Questions

What is the IUPAC name of 2-(dimethoxymethyl)-5,6-bis(methoxymethyl)-3-methylpyrazine?
The IUPAC name of 2-(dimethoxymethyl)-5,6-bis(methoxymethyl)-3-methylpyrazine (CID 121002156) is 2-(dimethoxymethyl)-5,6-bis(methoxymethyl)-3-methylpyrazine.
What is the SMILES notation for 2-(dimethoxymethyl)-5,6-bis(methoxymethyl)-3-methylpyrazine?
The canonical SMILES for 2-(dimethoxymethyl)-5,6-bis(methoxymethyl)-3-methylpyrazine is COCc1nc(C)c(C(OC)OC)nc1COC.
What is the InChIKey of 2-(dimethoxymethyl)-5,6-bis(methoxymethyl)-3-methylpyrazine?
The InChIKey is NVPWNKPDDPQBHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c1-8-11(12(17-4)18-5)14-10(7-16-3)9(13-8)6-15-2/h12H,6-7H2,1-5H3.
What are the key properties of 2-(dimethoxymethyl)-5,6-bis(methoxymethyl)-3-methylpyrazine?
2-(dimethoxymethyl)-5,6-bis(methoxymethyl)-3-methylpyrazine has a molecular weight of 256.30 g/mol, XLogP of 1.37, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethoxymethyl)-5,6-bis(methoxymethyl)-3-methylpyrazine is sourced from PubChem (CID 121002156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).