2-(butoxymethyl)-5-methylpyrazine

C10H16N2O — CID 13446311

IUPAC2-(butoxymethyl)-5-methylpyrazine
SMILESCCCCOCc1cnc(C)cn1
InChIInChI=1S/C10H16N2O/c1-3-4-5-13-8-10-7-11-9(2)6-12-10/h6-7H,3-5,8H2,1-2H3
InChIKeyKMJXROMLGQILOZ-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.10
Rot. Bonds5

About 2-(butoxymethyl)-5-methylpyrazine

2-(butoxymethyl)-5-methylpyrazine (PubChem CID 13446311) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 2-(butoxymethyl)-5-methylpyrazine.

Molecular Properties

Compound Name2-(butoxymethyl)-5-methylpyrazine
PubChem CID13446311
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name2-(butoxymethyl)-5-methylpyrazine
SMILESCCCCOCc1cnc(C)cn1
InChIInChI=1S/C10H16N2O/c1-3-4-5-13-8-10-7-11-9(2)6-12-10/h6-7H,3-5,8H2,1-2H3
InChIKeyKMJXROMLGQILOZ-UHFFFAOYSA-N
XLogP2.10
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-Methoxy-(3,5 or 6)-methylpyrazine
CID 113204
Pyrazine, 2-methoxymethyl-5-methyl-, 4-oxide
CID 3068148
Pyrazine, 2-(ethoxymethyl)-5-methyl-, 4-oxide
CID 3068149
Pyrazine, 2-ethoxymethyl-
CID 103404
(5-methylpyrazin-2-yl)methyl (2R,6S)-2,6-dimethylmorpholine-4-carboxylate
CID 172435817
(3,6-Dimethylpyrazin-2-yl)methyl 3-methylbutanoate
CID 71467154
Methyl pyrazine-2-carboximidate
CID 470894
Pyrazin-2-ylmethyl acetate
CID 12933345
(6-Methylpyrazin-2-yl)methyl acetate
CID 13123637
2,5-Bis(methoxymethyl)pyrazine
CID 14257640
2-(Prop-2-ynoxymethyl)pyrazine
CID 14531221
(5-Methylpyrazin-2-yl)methyl acetate
CID 14532641

Frequently Asked Questions

What is the IUPAC name of 2-(butoxymethyl)-5-methylpyrazine?
The IUPAC name of 2-(butoxymethyl)-5-methylpyrazine (CID 13446311) is 2-(butoxymethyl)-5-methylpyrazine.
What is the SMILES notation for 2-(butoxymethyl)-5-methylpyrazine?
The canonical SMILES for 2-(butoxymethyl)-5-methylpyrazine is CCCCOCc1cnc(C)cn1.
What is the InChIKey of 2-(butoxymethyl)-5-methylpyrazine?
The InChIKey is KMJXROMLGQILOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-3-4-5-13-8-10-7-11-9(2)6-12-10/h6-7H,3-5,8H2,1-2H3.
What are the key properties of 2-(butoxymethyl)-5-methylpyrazine?
2-(butoxymethyl)-5-methylpyrazine has a molecular weight of 180.25 g/mol, XLogP of 2.10, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butoxymethyl)-5-methylpyrazine is sourced from PubChem (CID 13446311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).