methyl 3,5-dimethyl-6-(2-methylpropyl)pyrazine-2-carboxylate

C12H18N2O2 — CID 67398312

IUPACmethyl 3,5-dimethyl-6-(2-methylpropyl)pyrazine-2-carboxylate
SMILESCOC(=O)c1nc(CC(C)C)c(C)nc1C
InChIInChI=1S/C12H18N2O2/c1-7(2)6-10-8(3)13-9(4)11(14-10)12(15)16-5/h7H,6H2,1-5H3
InChIKeyKIGNKJDDBMKDGG-UHFFFAOYSA-N
MW222.29 g/mol
LogP2.08
Rot. Bonds3

About methyl 3,5-dimethyl-6-(2-methylpropyl)pyrazine-2-carboxylate

methyl 3,5-dimethyl-6-(2-methylpropyl)pyrazine-2-carboxylate (PubChem CID 67398312) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is methyl 3,5-dimethyl-6-(2-methylpropyl)pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3,5-dimethyl-6-(2-methylpropyl)pyrazine-2-carboxylate
PubChem CID67398312
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Namemethyl 3,5-dimethyl-6-(2-methylpropyl)pyrazine-2-carboxylate
SMILESCOC(=O)c1nc(CC(C)C)c(C)nc1C
InChIInChI=1S/C12H18N2O2/c1-7(2)6-10-8(3)13-9(4)11(14-10)12(15)16-5/h7H,6H2,1-5H3
InChIKeyKIGNKJDDBMKDGG-UHFFFAOYSA-N
XLogP2.08
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 ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3,5-dimethyl-6-(2-methylpropyl)pyrazine-2-carboxylate?
The IUPAC name of methyl 3,5-dimethyl-6-(2-methylpropyl)pyrazine-2-carboxylate (CID 67398312) is methyl 3,5-dimethyl-6-(2-methylpropyl)pyrazine-2-carboxylate.
What is the SMILES notation for methyl 3,5-dimethyl-6-(2-methylpropyl)pyrazine-2-carboxylate?
The canonical SMILES for methyl 3,5-dimethyl-6-(2-methylpropyl)pyrazine-2-carboxylate is COC(=O)c1nc(CC(C)C)c(C)nc1C.
What is the InChIKey of methyl 3,5-dimethyl-6-(2-methylpropyl)pyrazine-2-carboxylate?
The InChIKey is KIGNKJDDBMKDGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-7(2)6-10-8(3)13-9(4)11(14-10)12(15)16-5/h7H,6H2,1-5H3.
What are the key properties of methyl 3,5-dimethyl-6-(2-methylpropyl)pyrazine-2-carboxylate?
methyl 3,5-dimethyl-6-(2-methylpropyl)pyrazine-2-carboxylate has a molecular weight of 222.29 g/mol, XLogP of 2.08, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3,5-dimethyl-6-(2-methylpropyl)pyrazine-2-carboxylate is sourced from PubChem (CID 67398312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).