1-[4-[3-(5-aminopyrazin-2-yl)cyclobutyl]-2-fluorophenoxy]-3-(dimethylamino)propan-2-ol

C19H25FN4O2 — CID 142794917

IUPAC1-[4-[3-(5-aminopyrazin-2-yl)cyclobutyl]-2-fluorophenoxy]-3-(dimethylamino)propan-2-ol
SMILESCN(C)CC(O)COc1ccc(C2CC(c3cnc(N)cn3)C2)cc1F
InChIInChI=1S/C19H25FN4O2/c1-24(2)10-15(25)11-26-18-4-3-12(7-16(18)20)13-5-14(6-13)17-8-23-19(21)9-22-17/h3-4,7-9,13-15,25H,5-6,10-11H2,1-2H3,(H2,21,23)
InChIKeySVILUJPRZIOECG-UHFFFAOYSA-N
MW360.43 g/mol
LogP2.16
Rot. Bonds7

About 1-[4-[3-(5-aminopyrazin-2-yl)cyclobutyl]-2-fluorophenoxy]-3-(dimethylamino)propan-2-ol

1-[4-[3-(5-aminopyrazin-2-yl)cyclobutyl]-2-fluorophenoxy]-3-(dimethylamino)propan-2-ol (PubChem CID 142794917) has the molecular formula C19H25FN4O2 and a molecular weight of 360.43 g/mol. Its IUPAC name is 1-[4-[3-(5-aminopyrazin-2-yl)cyclobutyl]-2-fluorophenoxy]-3-(dimethylamino)propan-2-ol.

Molecular Properties

Compound Name1-[4-[3-(5-aminopyrazin-2-yl)cyclobutyl]-2-fluorophenoxy]-3-(dimethylamino)propan-2-ol
PubChem CID142794917
Molecular FormulaC19H25FN4O2
Molecular Weight360.43 g/mol
Exact Mass360.20
IUPAC Name1-[4-[3-(5-aminopyrazin-2-yl)cyclobutyl]-2-fluorophenoxy]-3-(dimethylamino)propan-2-ol
SMILESCN(C)CC(O)COc1ccc(C2CC(c3cnc(N)cn3)C2)cc1F
InChIInChI=1S/C19H25FN4O2/c1-24(2)10-15(25)11-26-18-4-3-12(7-16(18)20)13-5-14(6-13)17-8-23-19(21)9-22-17/h3-4,7-9,13-15,25H,5-6,10-11H2,1-2H3,(H2,21,23)
InChIKeySVILUJPRZIOECG-UHFFFAOYSA-N
XLogP2.16
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.43
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-[3-(5-Aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]-2-hydroxypropyl]pyrazin-2-one
CID 90310573
racemic 1-(3-(3-(5-Aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy)-2-hydroxypropyl)pyridin-2(1H)-one
CID 90310638
1-(3-(5-Aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy)-3-(isobutylamino)-propan-2-ol
CID 90310832
3-[3-(5-Aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]propane-1,2-diol
CID 90310843
1-[3-[3-(5-Aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]-2-hydroxypropyl]imidazolidin-2-one
CID 90310850
2-[3-(5-Aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]ethanol
CID 90310858
2-[2-[4-(5-Aminopyrazin-2-yl)-3-fluorophenyl]phenoxy]ethanol
CID 90313622
1-[3-(5-Aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]-3-morpholin-4-ylpropan-2-ol
CID 90310995
1-[3-(5-Aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]-3-(methylamino)propan-2-ol
CID 90310580
1-[3-(5-Aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]-3-piperidin-1-ylpropan-2-ol
CID 90310628
5-[4-Cyclobutyl-3-[3-(dimethylamino)propoxy]-2-fluorophenyl]pyrazin-2-amine
CID 90310630
1-[3-(5-Aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]-3-piperazin-1-ylpropan-2-ol
CID 90310699

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(5-aminopyrazin-2-yl)cyclobutyl]-2-fluorophenoxy]-3-(dimethylamino)propan-2-ol?
The IUPAC name of 1-[4-[3-(5-aminopyrazin-2-yl)cyclobutyl]-2-fluorophenoxy]-3-(dimethylamino)propan-2-ol (CID 142794917) is 1-[4-[3-(5-aminopyrazin-2-yl)cyclobutyl]-2-fluorophenoxy]-3-(dimethylamino)propan-2-ol.
What is the SMILES notation for 1-[4-[3-(5-aminopyrazin-2-yl)cyclobutyl]-2-fluorophenoxy]-3-(dimethylamino)propan-2-ol?
The canonical SMILES for 1-[4-[3-(5-aminopyrazin-2-yl)cyclobutyl]-2-fluorophenoxy]-3-(dimethylamino)propan-2-ol is CN(C)CC(O)COc1ccc(C2CC(c3cnc(N)cn3)C2)cc1F.
What is the InChIKey of 1-[4-[3-(5-aminopyrazin-2-yl)cyclobutyl]-2-fluorophenoxy]-3-(dimethylamino)propan-2-ol?
The InChIKey is SVILUJPRZIOECG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN4O2/c1-24(2)10-15(25)11-26-18-4-3-12(7-16(18)20)13-5-14(6-13)17-8-23-19(21)9-22-17/h3-4,7-9,13-15,25H,5-6,10-11H2,1-2H3,(H2,21,23).
What are the key properties of 1-[4-[3-(5-aminopyrazin-2-yl)cyclobutyl]-2-fluorophenoxy]-3-(dimethylamino)propan-2-ol?
1-[4-[3-(5-aminopyrazin-2-yl)cyclobutyl]-2-fluorophenoxy]-3-(dimethylamino)propan-2-ol has a molecular weight of 360.43 g/mol, XLogP of 2.16, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(5-aminopyrazin-2-yl)cyclobutyl]-2-fluorophenoxy]-3-(dimethylamino)propan-2-ol is sourced from PubChem (CID 142794917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).