[3,6-dimethyl-5-(2-methylpropanoyloxymethyl)pyrazin-2-yl]methyl 2-methylpropanoate

C16H24N2O4 — CID 102220602

IUPAC[3,6-dimethyl-5-(2-methylpropanoyloxymethyl)pyrazin-2-yl]methyl 2-methylpropanoate
SMILESCc1nc(COC(=O)C(C)C)c(C)nc1COC(=O)C(C)C
InChIInChI=1S/C16H24N2O4/c1-9(2)15(19)21-7-13-11(5)18-14(12(6)17-13)8-22-16(20)10(3)4/h9-10H,7-8H2,1-6H3
InChIKeyYKSXQQLOESHNIK-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.49
Rot. Bonds6

About [3,6-dimethyl-5-(2-methylpropanoyloxymethyl)pyrazin-2-yl]methyl 2-methylpropanoate

[3,6-dimethyl-5-(2-methylpropanoyloxymethyl)pyrazin-2-yl]methyl 2-methylpropanoate (PubChem CID 102220602) has the molecular formula C16H24N2O4 and a molecular weight of 308.38 g/mol. Its IUPAC name is [3,6-dimethyl-5-(2-methylpropanoyloxymethyl)pyrazin-2-yl]methyl 2-methylpropanoate.

Molecular Properties

Compound Name[3,6-dimethyl-5-(2-methylpropanoyloxymethyl)pyrazin-2-yl]methyl 2-methylpropanoate
PubChem CID102220602
Molecular FormulaC16H24N2O4
Molecular Weight308.38 g/mol
Exact Mass308.17
IUPAC Name[3,6-dimethyl-5-(2-methylpropanoyloxymethyl)pyrazin-2-yl]methyl 2-methylpropanoate
SMILESCc1nc(COC(=O)C(C)C)c(C)nc1COC(=O)C(C)C
InChIInChI=1S/C16H24N2O4/c1-9(2)15(19)21-7-13-11(5)18-14(12(6)17-13)8-22-16(20)10(3)4/h9-10H,7-8H2,1-6H3
InChIKeyYKSXQQLOESHNIK-UHFFFAOYSA-N
XLogP2.49
TPSA78.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-Methylacetate-3,5,6-trimethylpyrazine
CID 85138582
Diethyl 3,6-dimethylpyrazine-2,5-dicarboxylate
CID 236705
(3,5,6-Trimethylpyrazin-2-yl)methyl 3-methylbutanoate
CID 71467094
(3,5,6-Trimethylpyrazin-2-yl)methyl 4-nitrooxybutanoate
CID 46896575
(3,5,6-Trimethylpyrazin-2-yl)methyl 3-nitrooxypropanoate
CID 46896576
(3,5,6-Trimethylpyrazin-2-yl)methyl 2-nitrooxyacetate
CID 46896577
Bis[(3,5,6-trimethylpyrazin-2-yl)methyl] butanedioate
CID 46896580
[5-(Acetyloxymethyl)-3,6-dimethylpyrazin-2-yl]methyl acetate
CID 53346217
(3,5,6-Trimethylpyrazin-2-yl)methyl 2-methylpropanoate
CID 141222358
(3,5,6-Trimethylpyrazin-2-yl)methyl propanoate
CID 141222359
(3,5,6-Trimethylpyrazin-2-yl)methyl butanoate
CID 141222364
(3,5,6-Trimethylpyrazin-2-yl)methyl 2-bromoacetate
CID 141229872

Frequently Asked Questions

What is the IUPAC name of [3,6-dimethyl-5-(2-methylpropanoyloxymethyl)pyrazin-2-yl]methyl 2-methylpropanoate?
The IUPAC name of [3,6-dimethyl-5-(2-methylpropanoyloxymethyl)pyrazin-2-yl]methyl 2-methylpropanoate (CID 102220602) is [3,6-dimethyl-5-(2-methylpropanoyloxymethyl)pyrazin-2-yl]methyl 2-methylpropanoate.
What is the SMILES notation for [3,6-dimethyl-5-(2-methylpropanoyloxymethyl)pyrazin-2-yl]methyl 2-methylpropanoate?
The canonical SMILES for [3,6-dimethyl-5-(2-methylpropanoyloxymethyl)pyrazin-2-yl]methyl 2-methylpropanoate is Cc1nc(COC(=O)C(C)C)c(C)nc1COC(=O)C(C)C.
What is the InChIKey of [3,6-dimethyl-5-(2-methylpropanoyloxymethyl)pyrazin-2-yl]methyl 2-methylpropanoate?
The InChIKey is YKSXQQLOESHNIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4/c1-9(2)15(19)21-7-13-11(5)18-14(12(6)17-13)8-22-16(20)10(3)4/h9-10H,7-8H2,1-6H3.
What are the key properties of [3,6-dimethyl-5-(2-methylpropanoyloxymethyl)pyrazin-2-yl]methyl 2-methylpropanoate?
[3,6-dimethyl-5-(2-methylpropanoyloxymethyl)pyrazin-2-yl]methyl 2-methylpropanoate has a molecular weight of 308.38 g/mol, XLogP of 2.49, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3,6-dimethyl-5-(2-methylpropanoyloxymethyl)pyrazin-2-yl]methyl 2-methylpropanoate is sourced from PubChem (CID 102220602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).