methyl 6-(3,5-dimethylcyclohexyl)oxypyrazine-2-carboxylate

C14H20N2O3 — CID 66455926

IUPACmethyl 6-(3,5-dimethylcyclohexyl)oxypyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(OC2CC(C)CC(C)C2)n1
InChIInChI=1S/C14H20N2O3/c1-9-4-10(2)6-11(5-9)19-13-8-15-7-12(16-13)14(17)18-3/h7-11H,4-6H2,1-3H3
InChIKeyZAZSHYFFTKVPAX-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.47
Rot. Bonds3

About methyl 6-(3,5-dimethylcyclohexyl)oxypyrazine-2-carboxylate

methyl 6-(3,5-dimethylcyclohexyl)oxypyrazine-2-carboxylate (PubChem CID 66455926) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is methyl 6-(3,5-dimethylcyclohexyl)oxypyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-(3,5-dimethylcyclohexyl)oxypyrazine-2-carboxylate
PubChem CID66455926
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Namemethyl 6-(3,5-dimethylcyclohexyl)oxypyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(OC2CC(C)CC(C)C2)n1
InChIInChI=1S/C14H20N2O3/c1-9-4-10(2)6-11(5-9)19-13-8-15-7-12(16-13)14(17)18-3/h7-11H,4-6H2,1-3H3
InChIKeyZAZSHYFFTKVPAX-UHFFFAOYSA-N
XLogP2.47
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R,5S)-2-isopropyl-5-methyl-cyclohexyl] pyrazine-2-carboxylate
CID 485619
Tert-butyl 5-(3-fluorocyclobutyl)oxypyrazine-2-carboxylate
CID 177025173
5-Cyclohexyloxypyrazine-2-carboxylic acid
CID 64265347
5-Propoxy-pyrazine-2-carboxylic acid propyl ester
CID 68763154
Hexyl 5-hexoxypyrazine-2-carboxylate
CID 69905946
Methyl 5-hexoxypyrazine-2-carboxylate
CID 69976811
(1-Methylcyclohexyl) pyrazine-2-carboxylate
CID 71585065
Methyl 5-(cyclopropylmethoxy)pyrazine-2-carboxylate
CID 86715870
Ethyl 5-(cyclobutylmethoxy)-pyrazine-2-carboxylate
CID 90133833
Methyl 5-isopropoxypyrazine-2-carboxylate
CID 104046256
Tert-butyl 5-ethoxypyrazine-2-carboxylate
CID 126486669
Butyl 5-but-3-yn-2-yloxypyrazine-2-carboxylate
CID 145015660

Frequently Asked Questions

What is the IUPAC name of methyl 6-(3,5-dimethylcyclohexyl)oxypyrazine-2-carboxylate?
The IUPAC name of methyl 6-(3,5-dimethylcyclohexyl)oxypyrazine-2-carboxylate (CID 66455926) is methyl 6-(3,5-dimethylcyclohexyl)oxypyrazine-2-carboxylate.
What is the SMILES notation for methyl 6-(3,5-dimethylcyclohexyl)oxypyrazine-2-carboxylate?
The canonical SMILES for methyl 6-(3,5-dimethylcyclohexyl)oxypyrazine-2-carboxylate is COC(=O)c1cncc(OC2CC(C)CC(C)C2)n1.
What is the InChIKey of methyl 6-(3,5-dimethylcyclohexyl)oxypyrazine-2-carboxylate?
The InChIKey is ZAZSHYFFTKVPAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-9-4-10(2)6-11(5-9)19-13-8-15-7-12(16-13)14(17)18-3/h7-11H,4-6H2,1-3H3.
What are the key properties of methyl 6-(3,5-dimethylcyclohexyl)oxypyrazine-2-carboxylate?
methyl 6-(3,5-dimethylcyclohexyl)oxypyrazine-2-carboxylate has a molecular weight of 264.32 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(3,5-dimethylcyclohexyl)oxypyrazine-2-carboxylate is sourced from PubChem (CID 66455926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).