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

C69H75F9N12S3 — CID 164992070

IUPAC(5S,8S)-N-benzyl-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[4.4]nonan-8-amine;(5S,8R)-N-benzyl-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[4.4]nonan-8-amine;(5R,8R)-N-benzyl-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](NCc5ccccc5)C4)C3)ncnc2s1.FC(F)(F)Cc1cc2c(N3CC[C@]4(CC[C@@H](NCc5ccccc5)C4)C3)ncnc2s1.FC(F)(F)Cc1cc2c(N3CC[C@]4(CC[C@H](NCc5ccccc5)C4)C3)ncnc2s1
InChIInChI=1S/3C23H25F3N4S/c3*24-23(25,26)12-18-10-19-20(28-15-29-21(19)31-18)30-9-8-22(14-30)7-6-17(11-22)27-13-16-4-2-1-3-5-16/h3*1-5,10,15,17,27H,6-9,11-14H2/t17-,22+;2*17-,22-/m110/s1
InChIKeyGZQSFUWYGXLCNL-IGHBXXPXSA-N
MW1339.63 g/mol
LogP16.00
Rot. Bonds15

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

(5S,8S)-N-benzyl-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[4.4]nonan-8-amine;(5S,8R)-N-benzyl-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[4.4]nonan-8-amine;(5R,8R)-N-benzyl-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[4.4]nonan-8-amine (PubChem CID 164992070) has the molecular formula C69H75F9N12S3 and a molecular weight of 1339.63 g/mol. Its IUPAC name is (5S,8S)-N-benzyl-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[4.4]nonan-8-amine;(5S,8R)-N-benzyl-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[4.4]nonan-8-amine;(5R,8R)-N-benzyl-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,8S)-N-benzyl-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[4.4]nonan-8-amine;(5S,8R)-N-benzyl-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[4.4]nonan-8-amine;(5R,8R)-N-benzyl-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[4.4]nonan-8-amine
PubChem CID164992070
Molecular FormulaC69H75F9N12S3
Molecular Weight1339.63 g/mol
Exact Mass1338.53
IUPAC Name(5S,8S)-N-benzyl-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[4.4]nonan-8-amine;(5S,8R)-N-benzyl-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[4.4]nonan-8-amine;(5R,8R)-N-benzyl-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](NCc5ccccc5)C4)C3)ncnc2s1.FC(F)(F)Cc1cc2c(N3CC[C@]4(CC[C@@H](NCc5ccccc5)C4)C3)ncnc2s1.FC(F)(F)Cc1cc2c(N3CC[C@]4(CC[C@H](NCc5ccccc5)C4)C3)ncnc2s1
InChIInChI=1S/3C23H25F3N4S/c3*24-23(25,26)12-18-10-19-20(28-15-29-21(19)31-18)30-9-8-22(14-30)7-6-17(11-22)27-13-16-4-2-1-3-5-16/h3*1-5,10,15,17,27H,6-9,11-14H2/t17-,22+;2*17-,22-/m110/s1
InChIKeyGZQSFUWYGXLCNL-IGHBXXPXSA-N
XLogP16.00
TPSA123.15 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds15
Heavy Atoms93
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001339.63
LogP ≤ 516.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1015

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

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Frequently Asked Questions

What is the IUPAC name of (5S,8S)-N-benzyl-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[4.4]nonan-8-amine;(5S,8R)-N-benzyl-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[4.4]nonan-8-amine;(5R,8R)-N-benzyl-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,8S)-N-benzyl-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[4.4]nonan-8-amine;(5S,8R)-N-benzyl-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[4.4]nonan-8-amine;(5R,8R)-N-benzyl-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[4.4]nonan-8-amine (CID 164992070) is (5S,8S)-N-benzyl-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[4.4]nonan-8-amine;(5S,8R)-N-benzyl-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[4.4]nonan-8-amine;(5R,8R)-N-benzyl-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,8S)-N-benzyl-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[4.4]nonan-8-amine;(5S,8R)-N-benzyl-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[4.4]nonan-8-amine;(5R,8R)-N-benzyl-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,8S)-N-benzyl-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[4.4]nonan-8-amine;(5S,8R)-N-benzyl-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[4.4]nonan-8-amine;(5R,8R)-N-benzyl-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](NCc5ccccc5)C4)C3)ncnc2s1.FC(F)(F)Cc1cc2c(N3CC[C@]4(CC[C@@H](NCc5ccccc5)C4)C3)ncnc2s1.FC(F)(F)Cc1cc2c(N3CC[C@]4(CC[C@H](NCc5ccccc5)C4)C3)ncnc2s1.
What is the InChIKey of (5S,8S)-N-benzyl-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[4.4]nonan-8-amine;(5S,8R)-N-benzyl-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[4.4]nonan-8-amine;(5R,8R)-N-benzyl-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[4.4]nonan-8-amine?
The InChIKey is GZQSFUWYGXLCNL-IGHBXXPXSA-N. The full InChI is InChI=1S/3C23H25F3N4S/c3*24-23(25,26)12-18-10-19-20(28-15-29-21(19)31-18)30-9-8-22(14-30)7-6-17(11-22)27-13-16-4-2-1-3-5-16/h3*1-5,10,15,17,27H,6-9,11-14H2/t17-,22+;2*17-,22-/m110/s1.
What are the key properties of (5S,8S)-N-benzyl-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[4.4]nonan-8-amine;(5S,8R)-N-benzyl-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[4.4]nonan-8-amine;(5R,8R)-N-benzyl-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[4.4]nonan-8-amine?
(5S,8S)-N-benzyl-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[4.4]nonan-8-amine;(5S,8R)-N-benzyl-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[4.4]nonan-8-amine;(5R,8R)-N-benzyl-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 1339.63 g/mol, XLogP of 16.00, 15 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,8S)-N-benzyl-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[4.4]nonan-8-amine;(5S,8R)-N-benzyl-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[4.4]nonan-8-amine;(5R,8R)-N-benzyl-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 164992070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).