methyl 6-[(2,2-dimethyloxan-4-yl)amino]pyrazine-2-carboxylate

C13H19N3O3 — CID 83028949

IUPACmethyl 6-[(2,2-dimethyloxan-4-yl)amino]pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(NC2CCOC(C)(C)C2)n1
InChIInChI=1S/C13H19N3O3/c1-13(2)6-9(4-5-19-13)15-11-8-14-7-10(16-11)12(17)18-3/h7-9H,4-6H2,1-3H3,(H,15,16)
InChIKeyJWBXWVZEVZZZSW-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.63
Rot. Bonds3

About methyl 6-[(2,2-dimethyloxan-4-yl)amino]pyrazine-2-carboxylate

methyl 6-[(2,2-dimethyloxan-4-yl)amino]pyrazine-2-carboxylate (PubChem CID 83028949) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is methyl 6-[(2,2-dimethyloxan-4-yl)amino]pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[(2,2-dimethyloxan-4-yl)amino]pyrazine-2-carboxylate
PubChem CID83028949
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Namemethyl 6-[(2,2-dimethyloxan-4-yl)amino]pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(NC2CCOC(C)(C)C2)n1
InChIInChI=1S/C13H19N3O3/c1-13(2)6-9(4-5-19-13)15-11-8-14-7-10(16-11)12(17)18-3/h7-9H,4-6H2,1-3H3,(H,15,16)
InChIKeyJWBXWVZEVZZZSW-UHFFFAOYSA-N
XLogP1.63
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 6-[(2,2-dimethyloxan-4-yl)amino]pyrazine-2-carboxylate?
The IUPAC name of methyl 6-[(2,2-dimethyloxan-4-yl)amino]pyrazine-2-carboxylate (CID 83028949) is methyl 6-[(2,2-dimethyloxan-4-yl)amino]pyrazine-2-carboxylate.
What is the SMILES notation for methyl 6-[(2,2-dimethyloxan-4-yl)amino]pyrazine-2-carboxylate?
The canonical SMILES for methyl 6-[(2,2-dimethyloxan-4-yl)amino]pyrazine-2-carboxylate is COC(=O)c1cncc(NC2CCOC(C)(C)C2)n1.
What is the InChIKey of methyl 6-[(2,2-dimethyloxan-4-yl)amino]pyrazine-2-carboxylate?
The InChIKey is JWBXWVZEVZZZSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-13(2)6-9(4-5-19-13)15-11-8-14-7-10(16-11)12(17)18-3/h7-9H,4-6H2,1-3H3,(H,15,16).
What are the key properties of methyl 6-[(2,2-dimethyloxan-4-yl)amino]pyrazine-2-carboxylate?
methyl 6-[(2,2-dimethyloxan-4-yl)amino]pyrazine-2-carboxylate has a molecular weight of 265.31 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(2,2-dimethyloxan-4-yl)amino]pyrazine-2-carboxylate is sourced from PubChem (CID 83028949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).