methyl 6-(oxan-4-ylmethylamino)pyrazine-2-carboxylate

C12H17N3O3 — CID 66457320

IUPACmethyl 6-(oxan-4-ylmethylamino)pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(NCC2CCOCC2)n1
InChIInChI=1S/C12H17N3O3/c1-17-12(16)10-7-13-8-11(15-10)14-6-9-2-4-18-5-3-9/h7-9H,2-6H2,1H3,(H,14,15)
InChIKeyYCYVBISUPYOMHL-UHFFFAOYSA-N
MW251.29 g/mol
LogP1.10
Rot. Bonds4

About methyl 6-(oxan-4-ylmethylamino)pyrazine-2-carboxylate

methyl 6-(oxan-4-ylmethylamino)pyrazine-2-carboxylate (PubChem CID 66457320) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is methyl 6-(oxan-4-ylmethylamino)pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-(oxan-4-ylmethylamino)pyrazine-2-carboxylate
PubChem CID66457320
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Namemethyl 6-(oxan-4-ylmethylamino)pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(NCC2CCOCC2)n1
InChIInChI=1S/C12H17N3O3/c1-17-12(16)10-7-13-8-11(15-10)14-6-9-2-4-18-5-3-9/h7-9H,2-6H2,1H3,(H,14,15)
InChIKeyYCYVBISUPYOMHL-UHFFFAOYSA-N
XLogP1.10
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 6-[(4-methylcyclohexyl)methylamino]pyrazine-2-carboxylate
CID 66455933
methyl 6-(thiolan-2-ylmethylamino)pyrazine-2-carboxylate
CID 80585250
methyl 6-(2-cyclopentylethylamino)pyrazine-2-carboxylate
CID 66456697
2-N-(oxan-4-ylmethyl)pyrazine-2,6-diamine
CID 78989247
methyl 6-[(1-methylpiperidin-2-yl)methylamino]pyrazine-2-carboxylate
CID 66457311
methyl 6-[[2-(cyclopropylamino)-2-oxoethyl]amino]pyrazine-2-carboxylate
CID 66457492
3-[(6-methoxycarbonylpyrazin-2-yl)amino]propanoic acid
CID 66454375
methyl 6-(1,3-thiazol-5-ylmethylamino)pyrazine-2-carboxylate
CID 104577442
methyl 6-[[1-(hydroxymethyl)cyclopropyl]methylamino]pyrazine-2-carboxylate
CID 115455097
methyl 6-(2-pyrrolidin-2-ylethylamino)pyrazine-2-carboxylate
CID 114794650
methyl 6-[(3-aminocyclobutyl)amino]pyrazine-2-carboxylate
CID 66457542
methyl 6-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]pyrazine-2-carboxylate
CID 66457291

Frequently Asked Questions

What is the IUPAC name of methyl 6-(oxan-4-ylmethylamino)pyrazine-2-carboxylate?
The IUPAC name of methyl 6-(oxan-4-ylmethylamino)pyrazine-2-carboxylate (CID 66457320) is methyl 6-(oxan-4-ylmethylamino)pyrazine-2-carboxylate.
What is the SMILES notation for methyl 6-(oxan-4-ylmethylamino)pyrazine-2-carboxylate?
The canonical SMILES for methyl 6-(oxan-4-ylmethylamino)pyrazine-2-carboxylate is COC(=O)c1cncc(NCC2CCOCC2)n1.
What is the InChIKey of methyl 6-(oxan-4-ylmethylamino)pyrazine-2-carboxylate?
The InChIKey is YCYVBISUPYOMHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-17-12(16)10-7-13-8-11(15-10)14-6-9-2-4-18-5-3-9/h7-9H,2-6H2,1H3,(H,14,15).
What are the key properties of methyl 6-(oxan-4-ylmethylamino)pyrazine-2-carboxylate?
methyl 6-(oxan-4-ylmethylamino)pyrazine-2-carboxylate has a molecular weight of 251.29 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(oxan-4-ylmethylamino)pyrazine-2-carboxylate is sourced from PubChem (CID 66457320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).