[3-[[[6-(2-methylpropoxy)pyrazin-2-yl]amino]methyl]oxetan-3-yl]methanol

C13H21N3O3 — CID 133399172

IUPAC[3-[[[6-(2-methylpropoxy)pyrazin-2-yl]amino]methyl]oxetan-3-yl]methanol
SMILESCC(C)COc1cncc(NCC2(CO)COC2)n1
InChIInChI=1S/C13H21N3O3/c1-10(2)5-19-12-4-14-3-11(16-12)15-6-13(7-17)8-18-9-13/h3-4,10,17H,5-9H2,1-2H3,(H,15,16)
InChIKeyMZKSTHLLCUBLGO-UHFFFAOYSA-N
MW267.33 g/mol
LogP0.93
Rot. Bonds7

About [3-[[[6-(2-methylpropoxy)pyrazin-2-yl]amino]methyl]oxetan-3-yl]methanol

[3-[[[6-(2-methylpropoxy)pyrazin-2-yl]amino]methyl]oxetan-3-yl]methanol (PubChem CID 133399172) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is [3-[[[6-(2-methylpropoxy)pyrazin-2-yl]amino]methyl]oxetan-3-yl]methanol.

Molecular Properties

Compound Name[3-[[[6-(2-methylpropoxy)pyrazin-2-yl]amino]methyl]oxetan-3-yl]methanol
PubChem CID133399172
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name[3-[[[6-(2-methylpropoxy)pyrazin-2-yl]amino]methyl]oxetan-3-yl]methanol
SMILESCC(C)COc1cncc(NCC2(CO)COC2)n1
InChIInChI=1S/C13H21N3O3/c1-10(2)5-19-12-4-14-3-11(16-12)15-6-13(7-17)8-18-9-13/h3-4,10,17H,5-9H2,1-2H3,(H,15,16)
InChIKeyMZKSTHLLCUBLGO-UHFFFAOYSA-N
XLogP0.93
TPSA76.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-[[[6-(2-methylpropoxy)pyrazin-2-yl]amino]methyl]oxetan-3-yl]methanol?
The IUPAC name of [3-[[[6-(2-methylpropoxy)pyrazin-2-yl]amino]methyl]oxetan-3-yl]methanol (CID 133399172) is [3-[[[6-(2-methylpropoxy)pyrazin-2-yl]amino]methyl]oxetan-3-yl]methanol.
What is the SMILES notation for [3-[[[6-(2-methylpropoxy)pyrazin-2-yl]amino]methyl]oxetan-3-yl]methanol?
The canonical SMILES for [3-[[[6-(2-methylpropoxy)pyrazin-2-yl]amino]methyl]oxetan-3-yl]methanol is CC(C)COc1cncc(NCC2(CO)COC2)n1.
What is the InChIKey of [3-[[[6-(2-methylpropoxy)pyrazin-2-yl]amino]methyl]oxetan-3-yl]methanol?
The InChIKey is MZKSTHLLCUBLGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-10(2)5-19-12-4-14-3-11(16-12)15-6-13(7-17)8-18-9-13/h3-4,10,17H,5-9H2,1-2H3,(H,15,16).
What are the key properties of [3-[[[6-(2-methylpropoxy)pyrazin-2-yl]amino]methyl]oxetan-3-yl]methanol?
[3-[[[6-(2-methylpropoxy)pyrazin-2-yl]amino]methyl]oxetan-3-yl]methanol has a molecular weight of 267.33 g/mol, XLogP of 0.93, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[[6-(2-methylpropoxy)pyrazin-2-yl]amino]methyl]oxetan-3-yl]methanol is sourced from PubChem (CID 133399172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).