methyl 6-[(2,2,3,3-tetramethylcyclopropyl)amino]pyrazine-2-carboxylate

C13H19N3O2 — CID 79362831

IUPACmethyl 6-[(2,2,3,3-tetramethylcyclopropyl)amino]pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(NC2C(C)(C)C2(C)C)n1
InChIInChI=1S/C13H19N3O2/c1-12(2)11(13(12,3)4)16-9-7-14-6-8(15-9)10(17)18-5/h6-7,11H,1-5H3,(H,15,16)
InChIKeyXVZQMOWBSBYLLG-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.11
Rot. Bonds3

About methyl 6-[(2,2,3,3-tetramethylcyclopropyl)amino]pyrazine-2-carboxylate

methyl 6-[(2,2,3,3-tetramethylcyclopropyl)amino]pyrazine-2-carboxylate (PubChem CID 79362831) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is methyl 6-[(2,2,3,3-tetramethylcyclopropyl)amino]pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[(2,2,3,3-tetramethylcyclopropyl)amino]pyrazine-2-carboxylate
PubChem CID79362831
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Namemethyl 6-[(2,2,3,3-tetramethylcyclopropyl)amino]pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(NC2C(C)(C)C2(C)C)n1
InChIInChI=1S/C13H19N3O2/c1-12(2)11(13(12,3)4)16-9-7-14-6-8(15-9)10(17)18-5/h6-7,11H,1-5H3,(H,15,16)
InChIKeyXVZQMOWBSBYLLG-UHFFFAOYSA-N
XLogP2.11
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 6-[(2,2,3,3-tetramethylcyclopropyl)amino]pyrazine-2-carboxylate?
The IUPAC name of methyl 6-[(2,2,3,3-tetramethylcyclopropyl)amino]pyrazine-2-carboxylate (CID 79362831) is methyl 6-[(2,2,3,3-tetramethylcyclopropyl)amino]pyrazine-2-carboxylate.
What is the SMILES notation for methyl 6-[(2,2,3,3-tetramethylcyclopropyl)amino]pyrazine-2-carboxylate?
The canonical SMILES for methyl 6-[(2,2,3,3-tetramethylcyclopropyl)amino]pyrazine-2-carboxylate is COC(=O)c1cncc(NC2C(C)(C)C2(C)C)n1.
What is the InChIKey of methyl 6-[(2,2,3,3-tetramethylcyclopropyl)amino]pyrazine-2-carboxylate?
The InChIKey is XVZQMOWBSBYLLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-12(2)11(13(12,3)4)16-9-7-14-6-8(15-9)10(17)18-5/h6-7,11H,1-5H3,(H,15,16).
What are the key properties of methyl 6-[(2,2,3,3-tetramethylcyclopropyl)amino]pyrazine-2-carboxylate?
methyl 6-[(2,2,3,3-tetramethylcyclopropyl)amino]pyrazine-2-carboxylate has a molecular weight of 249.31 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(2,2,3,3-tetramethylcyclopropyl)amino]pyrazine-2-carboxylate is sourced from PubChem (CID 79362831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).