1-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]-3-(methylamino)propan-2-ol

C18H23FN4O2 — CID 90310580

IUPAC1-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]-3-(methylamino)propan-2-ol
SMILESCNCC(O)COc1c(C2CCC2)ccc(-c2cnc(N)cn2)c1F
InChIInChI=1S/C18H23FN4O2/c1-21-7-12(24)10-25-18-13(11-3-2-4-11)5-6-14(17(18)19)15-8-23-16(20)9-22-15/h5-6,8-9,11-12,21,24H,2-4,7,10H2,1H3,(H2,20,23)
InChIKeyHCBNPVZKROEVTG-UHFFFAOYSA-N
MW346.41 g/mol
LogP2.09
Rot. Bonds7

About 1-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]-3-(methylamino)propan-2-ol

1-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]-3-(methylamino)propan-2-ol (PubChem CID 90310580) has the molecular formula C18H23FN4O2 and a molecular weight of 346.41 g/mol. Its IUPAC name is 1-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]-3-(methylamino)propan-2-ol.

Molecular Properties

Compound Name1-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]-3-(methylamino)propan-2-ol
PubChem CID90310580
Molecular FormulaC18H23FN4O2
Molecular Weight346.41 g/mol
Exact Mass346.18
IUPAC Name1-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]-3-(methylamino)propan-2-ol
SMILESCNCC(O)COc1c(C2CCC2)ccc(-c2cnc(N)cn2)c1F
InChIInChI=1S/C18H23FN4O2/c1-21-7-12(24)10-25-18-13(11-3-2-4-11)5-6-14(17(18)19)15-8-23-16(20)9-22-15/h5-6,8-9,11-12,21,24H,2-4,7,10H2,1H3,(H2,20,23)
InChIKeyHCBNPVZKROEVTG-UHFFFAOYSA-N
XLogP2.09
TPSA93.29 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]-3-(methylamino)propan-2-ol?
The IUPAC name of 1-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]-3-(methylamino)propan-2-ol (CID 90310580) is 1-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]-3-(methylamino)propan-2-ol.
What is the SMILES notation for 1-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]-3-(methylamino)propan-2-ol?
The canonical SMILES for 1-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]-3-(methylamino)propan-2-ol is CNCC(O)COc1c(C2CCC2)ccc(-c2cnc(N)cn2)c1F.
What is the InChIKey of 1-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]-3-(methylamino)propan-2-ol?
The InChIKey is HCBNPVZKROEVTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O2/c1-21-7-12(24)10-25-18-13(11-3-2-4-11)5-6-14(17(18)19)15-8-23-16(20)9-22-15/h5-6,8-9,11-12,21,24H,2-4,7,10H2,1H3,(H2,20,23).
What are the key properties of 1-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]-3-(methylamino)propan-2-ol?
1-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]-3-(methylamino)propan-2-ol has a molecular weight of 346.41 g/mol, XLogP of 2.09, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]-3-(methylamino)propan-2-ol is sourced from PubChem (CID 90310580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).