(3,5,6-trimethylpyrazin-2-yl)methyl 2-methylpropanoate

C12H18N2O2 — CID 141222358

IUPAC(3,5,6-trimethylpyrazin-2-yl)methyl 2-methylpropanoate
SMILESCc1nc(C)c(COC(=O)C(C)C)nc1C
InChIInChI=1S/C12H18N2O2/c1-7(2)12(15)16-6-11-10(5)13-8(3)9(4)14-11/h7H,6H2,1-5H3
InChIKeyGUQZZRFTISBLTD-UHFFFAOYSA-N
MW222.29 g/mol
LogP2.10
Rot. Bonds3

About (3,5,6-trimethylpyrazin-2-yl)methyl 2-methylpropanoate

(3,5,6-trimethylpyrazin-2-yl)methyl 2-methylpropanoate (PubChem CID 141222358) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is (3,5,6-trimethylpyrazin-2-yl)methyl 2-methylpropanoate.

Molecular Properties

Compound Name(3,5,6-trimethylpyrazin-2-yl)methyl 2-methylpropanoate
PubChem CID141222358
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name(3,5,6-trimethylpyrazin-2-yl)methyl 2-methylpropanoate
SMILESCc1nc(C)c(COC(=O)C(C)C)nc1C
InChIInChI=1S/C12H18N2O2/c1-7(2)12(15)16-6-11-10(5)13-8(3)9(4)14-11/h7H,6H2,1-5H3
InChIKeyGUQZZRFTISBLTD-UHFFFAOYSA-N
XLogP2.10
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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
Ethyl 3,5,6-trimethylpyrazine-2-carboxylate
CID 53428719
(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
(1-Chloro-2-methylpropyl) (3,5,6-trimethylpyrazin-2-yl)methyl carbonate
CID 122550012
Chloromethyl (3,5,6-trimethylpyrazin-2-yl)methyl carbonate
CID 122550017
(3,5,6-Trimethylpyrazin-2-yl)methyl propanoate
CID 141222359

Frequently Asked Questions

What is the IUPAC name of (3,5,6-trimethylpyrazin-2-yl)methyl 2-methylpropanoate?
The IUPAC name of (3,5,6-trimethylpyrazin-2-yl)methyl 2-methylpropanoate (CID 141222358) is (3,5,6-trimethylpyrazin-2-yl)methyl 2-methylpropanoate.
What is the SMILES notation for (3,5,6-trimethylpyrazin-2-yl)methyl 2-methylpropanoate?
The canonical SMILES for (3,5,6-trimethylpyrazin-2-yl)methyl 2-methylpropanoate is Cc1nc(C)c(COC(=O)C(C)C)nc1C.
What is the InChIKey of (3,5,6-trimethylpyrazin-2-yl)methyl 2-methylpropanoate?
The InChIKey is GUQZZRFTISBLTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-7(2)12(15)16-6-11-10(5)13-8(3)9(4)14-11/h7H,6H2,1-5H3.
What are the key properties of (3,5,6-trimethylpyrazin-2-yl)methyl 2-methylpropanoate?
(3,5,6-trimethylpyrazin-2-yl)methyl 2-methylpropanoate has a molecular weight of 222.29 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5,6-trimethylpyrazin-2-yl)methyl 2-methylpropanoate is sourced from PubChem (CID 141222358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).