6-[2-chloro-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-6-azaspiro[3.4]octan-2-ol

C15H15ClF3N3OS — CID 162573804

IUPAC6-[2-chloro-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-6-azaspiro[3.4]octan-2-ol
SMILESOC1CC2(CCN(c3nc(Cl)nc4sc(CC(F)(F)F)cc34)C2)C1
InChIInChI=1S/C15H15ClF3N3OS/c16-13-20-11(22-2-1-14(7-22)4-8(23)5-14)10-3-9(6-15(17,18)19)24-12(10)21-13/h3,8,23H,1-2,4-7H2
InChIKeyQRDQTAGWACDNKA-UHFFFAOYSA-N
MW377.82 g/mol
LogP3.80
Rot. Bonds2

About 6-[2-chloro-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-6-azaspiro[3.4]octan-2-ol

6-[2-chloro-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-6-azaspiro[3.4]octan-2-ol (PubChem CID 162573804) has the molecular formula C15H15ClF3N3OS and a molecular weight of 377.82 g/mol. Its IUPAC name is 6-[2-chloro-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-6-azaspiro[3.4]octan-2-ol.

Molecular Properties

Compound Name6-[2-chloro-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-6-azaspiro[3.4]octan-2-ol
PubChem CID162573804
Molecular FormulaC15H15ClF3N3OS
Molecular Weight377.82 g/mol
Exact Mass377.06
IUPAC Name6-[2-chloro-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-6-azaspiro[3.4]octan-2-ol
SMILESOC1CC2(CCN(c3nc(Cl)nc4sc(CC(F)(F)F)cc34)C2)C1
InChIInChI=1S/C15H15ClF3N3OS/c16-13-20-11(22-2-1-14(7-22)4-8(23)5-14)10-3-9(6-15(17,18)19)24-12(10)21-13/h3,8,23H,1-2,4-7H2
InChIKeyQRDQTAGWACDNKA-UHFFFAOYSA-N
XLogP3.80
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.82
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-[2-chloro-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-6-azaspiro[3.4]octan-2-ol with MolForge

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

Launch Full Analysis

Related Compounds

4-[2-(Oxolan-2-ylmethyl)-2,7-diazaspiro[3.5]nonan-7-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine
CID 129286034
4-[8-(Oxan-4-ylmethyl)-2,8-diazaspiro[4.5]decan-2-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine
CID 129286041
4-[[2-[6-(2,2,2-Trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,6-diazaspiro[3.3]heptan-6-yl]methyl]cyclohexan-1-ol
CID 129286044
1-[7-[6-(2,2,2-Trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[3.5]nonan-2-yl]propan-2-ol
CID 129286053
4-[7-(Oxan-4-ylmethyl)-2,7-diazaspiro[3.4]octan-2-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine
CID 129286078
4-[2-(Oxan-4-ylmethyl)-2,7-diazaspiro[3.4]octan-7-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine
CID 129286096
4-[[4-[6-(2,2,2-Trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]methyl]cyclohexan-1-ol
CID 129301711
2-[6-(2,2,2-Trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-3-ol
CID 129301841
4-[2-[1-(Oxan-4-yl)ethyl]-2,7-diazaspiro[3.4]octan-7-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine
CID 134352858
4-[2-[(2,2-Dimethyloxan-4-yl)methyl]-2,7-diazaspiro[3.4]octan-7-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine
CID 134352879
4-[2-[2-(Oxan-4-yl)ethyl]-2,7-diazaspiro[3.4]octan-7-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine
CID 134353003
4-[(5S)-7-(oxan-4-ylmethyl)-2,7-diazaspiro[4.4]nonan-2-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine
CID 134353369

Frequently Asked Questions

What is the IUPAC name of 6-[2-chloro-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-6-azaspiro[3.4]octan-2-ol?
The IUPAC name of 6-[2-chloro-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-6-azaspiro[3.4]octan-2-ol (CID 162573804) is 6-[2-chloro-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-6-azaspiro[3.4]octan-2-ol.
What is the SMILES notation for 6-[2-chloro-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-6-azaspiro[3.4]octan-2-ol?
The canonical SMILES for 6-[2-chloro-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-6-azaspiro[3.4]octan-2-ol is OC1CC2(CCN(c3nc(Cl)nc4sc(CC(F)(F)F)cc34)C2)C1.
What is the InChIKey of 6-[2-chloro-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-6-azaspiro[3.4]octan-2-ol?
The InChIKey is QRDQTAGWACDNKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClF3N3OS/c16-13-20-11(22-2-1-14(7-22)4-8(23)5-14)10-3-9(6-15(17,18)19)24-12(10)21-13/h3,8,23H,1-2,4-7H2.
What are the key properties of 6-[2-chloro-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-6-azaspiro[3.4]octan-2-ol?
6-[2-chloro-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-6-azaspiro[3.4]octan-2-ol has a molecular weight of 377.82 g/mol, XLogP of 3.80, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-chloro-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-6-azaspiro[3.4]octan-2-ol is sourced from PubChem (CID 162573804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).