3-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]propane-1,2-diol

C17H20FN3O3 — CID 90310843

IUPAC3-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]propane-1,2-diol
SMILESNc1cnc(-c2ccc(C3CCC3)c(OCC(O)CO)c2F)cn1
InChIInChI=1S/C17H20FN3O3/c18-16-13(14-6-21-15(19)7-20-14)5-4-12(10-2-1-3-10)17(16)24-9-11(23)8-22/h4-7,10-11,22-23H,1-3,8-9H2,(H2,19,21)
InChIKeySXWWUPCDDLMUKC-UHFFFAOYSA-N
MW333.36 g/mol
LogP1.86
Rot. Bonds6

About 3-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]propane-1,2-diol

3-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]propane-1,2-diol (PubChem CID 90310843) has the molecular formula C17H20FN3O3 and a molecular weight of 333.36 g/mol. Its IUPAC name is 3-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]propane-1,2-diol.

Molecular Properties

Compound Name3-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]propane-1,2-diol
PubChem CID90310843
Molecular FormulaC17H20FN3O3
Molecular Weight333.36 g/mol
Exact Mass333.15
IUPAC Name3-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]propane-1,2-diol
SMILESNc1cnc(-c2ccc(C3CCC3)c(OCC(O)CO)c2F)cn1
InChIInChI=1S/C17H20FN3O3/c18-16-13(14-6-21-15(19)7-20-14)5-4-12(10-2-1-3-10)17(16)24-9-11(23)8-22/h4-7,10-11,22-23H,1-3,8-9H2,(H2,19,21)
InChIKeySXWWUPCDDLMUKC-UHFFFAOYSA-N
XLogP1.86
TPSA101.49 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]propane-1,2-diol?
The IUPAC name of 3-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]propane-1,2-diol (CID 90310843) is 3-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]propane-1,2-diol.
What is the SMILES notation for 3-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]propane-1,2-diol?
The canonical SMILES for 3-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]propane-1,2-diol is Nc1cnc(-c2ccc(C3CCC3)c(OCC(O)CO)c2F)cn1.
What is the InChIKey of 3-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]propane-1,2-diol?
The InChIKey is SXWWUPCDDLMUKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O3/c18-16-13(14-6-21-15(19)7-20-14)5-4-12(10-2-1-3-10)17(16)24-9-11(23)8-22/h4-7,10-11,22-23H,1-3,8-9H2,(H2,19,21).
What are the key properties of 3-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]propane-1,2-diol?
3-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]propane-1,2-diol has a molecular weight of 333.36 g/mol, XLogP of 1.86, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]propane-1,2-diol is sourced from PubChem (CID 90310843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).