(3R)-N-[6-(2-fluoroethoxy)pyrimidin-4-yl]spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine

C15H20FN5O2 — CID 88990266

IUPAC(3R)-N-[6-(2-fluoroethoxy)pyrimidin-4-yl]spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine
SMILESFCCOc1cc(NC2=NC[C@@]3(CN4CCC3CC4)O2)ncn1
InChIInChI=1S/C15H20FN5O2/c16-3-6-22-13-7-12(18-10-19-13)20-14-17-8-15(23-14)9-21-4-1-11(15)2-5-21/h7,10-11H,1-6,8-9H2,(H,17,18,19,20)/t15-/m0/s1
InChIKeySBBDAUZYCKTKDR-HNNXBMFYSA-N
MW321.36 g/mol
LogP1.09
Rot. Bonds4

About (3R)-N-[6-(2-fluoroethoxy)pyrimidin-4-yl]spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine

(3R)-N-[6-(2-fluoroethoxy)pyrimidin-4-yl]spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine (PubChem CID 88990266) has the molecular formula C15H20FN5O2 and a molecular weight of 321.36 g/mol. Its IUPAC name is (3R)-N-[6-(2-fluoroethoxy)pyrimidin-4-yl]spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine.

Molecular Properties

Compound Name(3R)-N-[6-(2-fluoroethoxy)pyrimidin-4-yl]spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine
PubChem CID88990266
Molecular FormulaC15H20FN5O2
Molecular Weight321.36 g/mol
Exact Mass321.16
IUPAC Name(3R)-N-[6-(2-fluoroethoxy)pyrimidin-4-yl]spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine
SMILESFCCOc1cc(NC2=NC[C@@]3(CN4CCC3CC4)O2)ncn1
InChIInChI=1S/C15H20FN5O2/c16-3-6-22-13-7-12(18-10-19-13)20-14-17-8-15(23-14)9-21-4-1-11(15)2-5-21/h7,10-11H,1-6,8-9H2,(H,17,18,19,20)/t15-/m0/s1
InChIKeySBBDAUZYCKTKDR-HNNXBMFYSA-N
XLogP1.09
TPSA71.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.36
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-[6-(2-fluoroethoxy)pyrimidin-4-yl]spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine?
The IUPAC name of (3R)-N-[6-(2-fluoroethoxy)pyrimidin-4-yl]spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine (CID 88990266) is (3R)-N-[6-(2-fluoroethoxy)pyrimidin-4-yl]spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine.
What is the SMILES notation for (3R)-N-[6-(2-fluoroethoxy)pyrimidin-4-yl]spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine?
The canonical SMILES for (3R)-N-[6-(2-fluoroethoxy)pyrimidin-4-yl]spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine is FCCOc1cc(NC2=NC[C@@]3(CN4CCC3CC4)O2)ncn1.
What is the InChIKey of (3R)-N-[6-(2-fluoroethoxy)pyrimidin-4-yl]spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine?
The InChIKey is SBBDAUZYCKTKDR-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H20FN5O2/c16-3-6-22-13-7-12(18-10-19-13)20-14-17-8-15(23-14)9-21-4-1-11(15)2-5-21/h7,10-11H,1-6,8-9H2,(H,17,18,19,20)/t15-/m0/s1.
What are the key properties of (3R)-N-[6-(2-fluoroethoxy)pyrimidin-4-yl]spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine?
(3R)-N-[6-(2-fluoroethoxy)pyrimidin-4-yl]spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine has a molecular weight of 321.36 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[6-(2-fluoroethoxy)pyrimidin-4-yl]spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine is sourced from PubChem (CID 88990266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).