2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-3-ol

C15H17F3N4OS — CID 129301841

IUPAC2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-3-ol
SMILESOC1CC2(CCNC2)CN1c1ncnc2sc(CC(F)(F)F)cc12
InChIInChI=1S/C15H17F3N4OS/c16-15(17,18)4-9-3-10-12(20-8-21-13(10)24-9)22-7-14(5-11(22)23)1-2-19-6-14/h3,8,11,19,23H,1-2,4-7H2
InChIKeyMMPMJZNONNFXQR-UHFFFAOYSA-N
MW358.39 g/mol
LogP2.30
Rot. Bonds2

About 2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-3-ol

2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-3-ol (PubChem CID 129301841) has the molecular formula C15H17F3N4OS and a molecular weight of 358.39 g/mol. Its IUPAC name is 2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-3-ol.

Molecular Properties

Compound Name2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-3-ol
PubChem CID129301841
Molecular FormulaC15H17F3N4OS
Molecular Weight358.39 g/mol
Exact Mass358.11
IUPAC Name2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-3-ol
SMILESOC1CC2(CCNC2)CN1c1ncnc2sc(CC(F)(F)F)cc12
InChIInChI=1S/C15H17F3N4OS/c16-15(17,18)4-9-3-10-12(20-8-21-13(10)24-9)22-7-14(5-11(22)23)1-2-19-6-14/h3,8,11,19,23H,1-2,4-7H2
InChIKeyMMPMJZNONNFXQR-UHFFFAOYSA-N
XLogP2.30
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

CID 134229965
CID 134229965
N-(2-hydroxyethyl)-1-[4-[[2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-7-yl]methyl]phenyl]methanesulfonamide
CID 145960238
2-((6-Ethylthieno[2,3-d]pyrimidin-4-yl)amino)ethanol
CID 648537
(6-Ethyl-thieno[2,3-d]pyrimidin-4-yl)-(tetrahydro-furan-2-ylmethyl)-amine
CID 651273
4-[4-[(1-Benzylpiperidin-4-yl)amino]thieno[2,3-d]pyrimidin-6-yl]-3,3-difluorobutan-1-ol
CID 86296502
2-[5-(4-Aminothieno[2,3-d]pyrimidin-6-yl)-4-phenyl-1-(trifluoromethyl)imidazol-1-ium-1-yl]ethanol
CID 87730364
N-(piperidin-4-ylmethyl)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine
CID 90404503
(3S,4S)-1-benzyl-4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-3-ol
CID 90405631
1-Benzyl-4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-3-ol
CID 90405633
trans-1-Benzyl-4-((6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl)amino)piperidin-3-ol
CID 90405634
4-[2-(5,5-dimethyl-4H-1,3-thiazol-2-yl)-2,8-diazaspiro[4.5]decan-8-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine
CID 129286015
4-(2,8-Diazaspiro[4.5]decan-8-yl)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine
CID 129286018

Frequently Asked Questions

What is the IUPAC name of 2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-3-ol?
The IUPAC name of 2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-3-ol (CID 129301841) is 2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-3-ol.
What is the SMILES notation for 2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-3-ol?
The canonical SMILES for 2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-3-ol is OC1CC2(CCNC2)CN1c1ncnc2sc(CC(F)(F)F)cc12.
What is the InChIKey of 2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-3-ol?
The InChIKey is MMPMJZNONNFXQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N4OS/c16-15(17,18)4-9-3-10-12(20-8-21-13(10)24-9)22-7-14(5-11(22)23)1-2-19-6-14/h3,8,11,19,23H,1-2,4-7H2.
What are the key properties of 2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-3-ol?
2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-3-ol has a molecular weight of 358.39 g/mol, XLogP of 2.30, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-3-ol is sourced from PubChem (CID 129301841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).