propan-2-yl (3,5,6-trimethylpyrazin-2-yl)methyl carbonate

C12H18N2O3 — CID 162641738

IUPACpropan-2-yl (3,5,6-trimethylpyrazin-2-yl)methyl carbonate
SMILESCc1nc(C)c(COC(=O)OC(C)C)nc1C
InChIInChI=1S/C12H18N2O3/c1-7(2)17-12(15)16-6-11-10(5)13-8(3)9(4)14-11/h7H,6H2,1-5H3
InChIKeyXKZYPZBPOJJFJN-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.46
Rot. Bonds3

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

propan-2-yl (3,5,6-trimethylpyrazin-2-yl)methyl carbonate (PubChem CID 162641738) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is propan-2-yl (3,5,6-trimethylpyrazin-2-yl)methyl carbonate.

Molecular Properties

Compound Namepropan-2-yl (3,5,6-trimethylpyrazin-2-yl)methyl carbonate
PubChem CID162641738
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Namepropan-2-yl (3,5,6-trimethylpyrazin-2-yl)methyl carbonate
SMILESCc1nc(C)c(COC(=O)OC(C)C)nc1C
InChIInChI=1S/C12H18N2O3/c1-7(2)17-12(15)16-6-11-10(5)13-8(3)9(4)14-11/h7H,6H2,1-5H3
InChIKeyXKZYPZBPOJJFJN-UHFFFAOYSA-N
XLogP2.46
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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 (2S)-2-methylbutanoate
CID 71467095
[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
(3,5,6-trimethylpyrazin-2-yl)methyl N-ethyl-N-methylcarbamate
CID 118266794
(1-Chloro-2-methylpropyl) (3,5,6-trimethylpyrazin-2-yl)methyl carbonate
CID 122550012
1-Chloroethyl (3,5,6-trimethylpyrazin-2-yl)methyl carbonate
CID 122550013
(1-Chloro-2,2-dimethylpropyl) (3,5,6-trimethylpyrazin-2-yl)methyl carbonate
CID 122550015
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 propan-2-yl (3,5,6-trimethylpyrazin-2-yl)methyl carbonate?
The IUPAC name of propan-2-yl (3,5,6-trimethylpyrazin-2-yl)methyl carbonate (CID 162641738) is propan-2-yl (3,5,6-trimethylpyrazin-2-yl)methyl carbonate.
What is the SMILES notation for propan-2-yl (3,5,6-trimethylpyrazin-2-yl)methyl carbonate?
The canonical SMILES for propan-2-yl (3,5,6-trimethylpyrazin-2-yl)methyl carbonate is Cc1nc(C)c(COC(=O)OC(C)C)nc1C.
What is the InChIKey of propan-2-yl (3,5,6-trimethylpyrazin-2-yl)methyl carbonate?
The InChIKey is XKZYPZBPOJJFJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-7(2)17-12(15)16-6-11-10(5)13-8(3)9(4)14-11/h7H,6H2,1-5H3.
What are the key properties of propan-2-yl (3,5,6-trimethylpyrazin-2-yl)methyl carbonate?
propan-2-yl (3,5,6-trimethylpyrazin-2-yl)methyl carbonate has a molecular weight of 238.29 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl (3,5,6-trimethylpyrazin-2-yl)methyl carbonate is sourced from PubChem (CID 162641738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).