1-[3-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]-2-hydroxypropyl]imidazolidin-2-one

C20H24FN5O3 — CID 90310850

IUPAC1-[3-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]-2-hydroxypropyl]imidazolidin-2-one
SMILESNc1cnc(-c2ccc(C3CCC3)c(OCC(O)CN3CCNC3=O)c2F)cn1
InChIInChI=1S/C20H24FN5O3/c21-18-15(16-8-25-17(22)9-24-16)5-4-14(12-2-1-3-12)19(18)29-11-13(27)10-26-7-6-23-20(26)28/h4-5,8-9,12-13,27H,1-3,6-7,10-11H2,(H2,22,25)(H,23,28)
InChIKeySCXWSIYHOGRAOE-UHFFFAOYSA-N
MW401.44 g/mol
LogP1.90
Rot. Bonds7

About 1-[3-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]-2-hydroxypropyl]imidazolidin-2-one

1-[3-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]-2-hydroxypropyl]imidazolidin-2-one (PubChem CID 90310850) has the molecular formula C20H24FN5O3 and a molecular weight of 401.44 g/mol. Its IUPAC name is 1-[3-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]-2-hydroxypropyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[3-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]-2-hydroxypropyl]imidazolidin-2-one
PubChem CID90310850
Molecular FormulaC20H24FN5O3
Molecular Weight401.44 g/mol
Exact Mass401.19
IUPAC Name1-[3-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]-2-hydroxypropyl]imidazolidin-2-one
SMILESNc1cnc(-c2ccc(C3CCC3)c(OCC(O)CN3CCNC3=O)c2F)cn1
InChIInChI=1S/C20H24FN5O3/c21-18-15(16-8-25-17(22)9-24-16)5-4-14(12-2-1-3-12)19(18)29-11-13(27)10-26-7-6-23-20(26)28/h4-5,8-9,12-13,27H,1-3,6-7,10-11H2,(H2,22,25)(H,23,28)
InChIKeySCXWSIYHOGRAOE-UHFFFAOYSA-N
XLogP1.90
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.44
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]-2-hydroxypropyl]imidazolidin-2-one?
The IUPAC name of 1-[3-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]-2-hydroxypropyl]imidazolidin-2-one (CID 90310850) is 1-[3-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]-2-hydroxypropyl]imidazolidin-2-one.
What is the SMILES notation for 1-[3-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]-2-hydroxypropyl]imidazolidin-2-one?
The canonical SMILES for 1-[3-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]-2-hydroxypropyl]imidazolidin-2-one is Nc1cnc(-c2ccc(C3CCC3)c(OCC(O)CN3CCNC3=O)c2F)cn1.
What is the InChIKey of 1-[3-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]-2-hydroxypropyl]imidazolidin-2-one?
The InChIKey is SCXWSIYHOGRAOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN5O3/c21-18-15(16-8-25-17(22)9-24-16)5-4-14(12-2-1-3-12)19(18)29-11-13(27)10-26-7-6-23-20(26)28/h4-5,8-9,12-13,27H,1-3,6-7,10-11H2,(H2,22,25)(H,23,28).
What are the key properties of 1-[3-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]-2-hydroxypropyl]imidazolidin-2-one?
1-[3-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]-2-hydroxypropyl]imidazolidin-2-one has a molecular weight of 401.44 g/mol, XLogP of 1.90, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]-2-hydroxypropyl]imidazolidin-2-one is sourced from PubChem (CID 90310850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).