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

C16H20F3N5O — CID 141251351

IUPAC(2R)-N-[6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]spiro[1,3-dihydropyrrole-2,3'-1-azabicyclo[2.2.2]octane]-5-amine
SMILESFC(F)(F)COc1cc(NC2=CC[C@@]3(CN4CCC3CC4)N2)ncn1
InChIInChI=1S/C16H20F3N5O/c17-16(18,19)9-25-14-7-13(20-10-21-14)22-12-1-4-15(23-12)8-24-5-2-11(15)3-6-24/h1,7,10-11,23H,2-6,8-9H2,(H,20,21,22)/t15-/m0/s1
InChIKeyVGWXLJIHRYGUKV-HNNXBMFYSA-N
MW355.36 g/mol
LogP2.13
Rot. Bonds4

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

(2R)-N-[6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]spiro[1,3-dihydropyrrole-2,3'-1-azabicyclo[2.2.2]octane]-5-amine (PubChem CID 141251351) has the molecular formula C16H20F3N5O and a molecular weight of 355.36 g/mol. Its IUPAC name is (2R)-N-[6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]spiro[1,3-dihydropyrrole-2,3'-1-azabicyclo[2.2.2]octane]-5-amine.

Molecular Properties

Compound Name(2R)-N-[6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]spiro[1,3-dihydropyrrole-2,3'-1-azabicyclo[2.2.2]octane]-5-amine
PubChem CID141251351
Molecular FormulaC16H20F3N5O
Molecular Weight355.36 g/mol
Exact Mass355.16
IUPAC Name(2R)-N-[6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]spiro[1,3-dihydropyrrole-2,3'-1-azabicyclo[2.2.2]octane]-5-amine
SMILESFC(F)(F)COc1cc(NC2=CC[C@@]3(CN4CCC3CC4)N2)ncn1
InChIInChI=1S/C16H20F3N5O/c17-16(18,19)9-25-14-7-13(20-10-21-14)22-12-1-4-15(23-12)8-24-5-2-11(15)3-6-24/h1,7,10-11,23H,2-6,8-9H2,(H,20,21,22)/t15-/m0/s1
InChIKeyVGWXLJIHRYGUKV-HNNXBMFYSA-N
XLogP2.13
TPSA62.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.36
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2R)-N-[6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]spiro[1,3-dihydropyrrole-2,3'-1-azabicyclo[2.2.2]octane]-5-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]spiro[1,3-dihydropyrrole-2,3'-1-azabicyclo[2.2.2]octane]-5-amine?
The IUPAC name of (2R)-N-[6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]spiro[1,3-dihydropyrrole-2,3'-1-azabicyclo[2.2.2]octane]-5-amine (CID 141251351) is (2R)-N-[6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]spiro[1,3-dihydropyrrole-2,3'-1-azabicyclo[2.2.2]octane]-5-amine.
What is the SMILES notation for (2R)-N-[6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]spiro[1,3-dihydropyrrole-2,3'-1-azabicyclo[2.2.2]octane]-5-amine?
The canonical SMILES for (2R)-N-[6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]spiro[1,3-dihydropyrrole-2,3'-1-azabicyclo[2.2.2]octane]-5-amine is FC(F)(F)COc1cc(NC2=CC[C@@]3(CN4CCC3CC4)N2)ncn1.
What is the InChIKey of (2R)-N-[6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]spiro[1,3-dihydropyrrole-2,3'-1-azabicyclo[2.2.2]octane]-5-amine?
The InChIKey is VGWXLJIHRYGUKV-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H20F3N5O/c17-16(18,19)9-25-14-7-13(20-10-21-14)22-12-1-4-15(23-12)8-24-5-2-11(15)3-6-24/h1,7,10-11,23H,2-6,8-9H2,(H,20,21,22)/t15-/m0/s1.
What are the key properties of (2R)-N-[6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]spiro[1,3-dihydropyrrole-2,3'-1-azabicyclo[2.2.2]octane]-5-amine?
(2R)-N-[6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]spiro[1,3-dihydropyrrole-2,3'-1-azabicyclo[2.2.2]octane]-5-amine has a molecular weight of 355.36 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]spiro[1,3-dihydropyrrole-2,3'-1-azabicyclo[2.2.2]octane]-5-amine is sourced from PubChem (CID 141251351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).