(5S,8R)-N-phenyl-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[4.4]nonan-8-amine

C22H23F3N4S — CID 164824003

IUPAC(5S,8R)-N-phenyl-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[4.4]nonan-8-amine
SMILESFC(F)(F)Cc1cc2c(N3CC[C@]4(CC[C@@H](Nc5ccccc5)C4)C3)ncnc2s1
InChIInChI=1S/C22H23F3N4S/c23-22(24,25)12-17-10-18-19(26-14-27-20(18)30-17)29-9-8-21(13-29)7-6-16(11-21)28-15-4-2-1-3-5-15/h1-5,10,14,16,28H,6-9,11-13H2/t16-,21+/m1/s1
InChIKeyJJJZAMVRHNPLBO-IERDGZPVSA-N
MW432.52 g/mol
LogP5.66
Rot. Bonds4

About (5S,8R)-N-phenyl-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[4.4]nonan-8-amine

(5S,8R)-N-phenyl-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[4.4]nonan-8-amine (PubChem CID 164824003) has the molecular formula C22H23F3N4S and a molecular weight of 432.52 g/mol. Its IUPAC name is (5S,8R)-N-phenyl-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[4.4]nonan-8-amine.

Molecular Properties

Compound Name(5S,8R)-N-phenyl-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[4.4]nonan-8-amine
PubChem CID164824003
Molecular FormulaC22H23F3N4S
Molecular Weight432.52 g/mol
Exact Mass432.16
IUPAC Name(5S,8R)-N-phenyl-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[4.4]nonan-8-amine
SMILESFC(F)(F)Cc1cc2c(N3CC[C@]4(CC[C@@H](Nc5ccccc5)C4)C3)ncnc2s1
InChIInChI=1S/C22H23F3N4S/c23-22(24,25)12-17-10-18-19(26-14-27-20(18)30-17)29-9-8-21(13-29)7-6-16(11-21)28-15-4-2-1-3-5-15/h1-5,10,14,16,28H,6-9,11-13H2/t16-,21+/m1/s1
InChIKeyJJJZAMVRHNPLBO-IERDGZPVSA-N
XLogP5.66
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.52
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (5S,8R)-N-phenyl-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[4.4]nonan-8-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5S,8R)-N-phenyl-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[4.4]nonan-8-amine?
The IUPAC name of (5S,8R)-N-phenyl-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[4.4]nonan-8-amine (CID 164824003) is (5S,8R)-N-phenyl-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[4.4]nonan-8-amine.
What is the SMILES notation for (5S,8R)-N-phenyl-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[4.4]nonan-8-amine?
The canonical SMILES for (5S,8R)-N-phenyl-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[4.4]nonan-8-amine is FC(F)(F)Cc1cc2c(N3CC[C@]4(CC[C@@H](Nc5ccccc5)C4)C3)ncnc2s1.
What is the InChIKey of (5S,8R)-N-phenyl-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[4.4]nonan-8-amine?
The InChIKey is JJJZAMVRHNPLBO-IERDGZPVSA-N. The full InChI is InChI=1S/C22H23F3N4S/c23-22(24,25)12-17-10-18-19(26-14-27-20(18)30-17)29-9-8-21(13-29)7-6-16(11-21)28-15-4-2-1-3-5-15/h1-5,10,14,16,28H,6-9,11-13H2/t16-,21+/m1/s1.
What are the key properties of (5S,8R)-N-phenyl-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[4.4]nonan-8-amine?
(5S,8R)-N-phenyl-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[4.4]nonan-8-amine has a molecular weight of 432.52 g/mol, XLogP of 5.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,8R)-N-phenyl-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[4.4]nonan-8-amine is sourced from PubChem (CID 164824003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).