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

C22H29F3N4OS — CID 134352879

IUPAC4-[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
SMILESCC1(C)CC(CN2CC3(CCN(c4ncnc5sc(CC(F)(F)F)cc45)C3)C2)CCO1
InChIInChI=1S/C22H29F3N4OS/c1-20(2)8-15(3-6-30-20)10-28-11-21(12-28)4-5-29(13-21)18-17-7-16(9-22(23,24)25)31-19(17)27-14-26-18/h7,14-15H,3-6,8-13H2,1-2H3
InChIKeyXODKAZPNADLUGA-UHFFFAOYSA-N
MW454.56 g/mol
LogP4.51
Rot. Bonds4

About 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

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 (PubChem CID 134352879) has the molecular formula C22H29F3N4OS and a molecular weight of 454.56 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[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
PubChem CID134352879
Molecular FormulaC22H29F3N4OS
Molecular Weight454.56 g/mol
Exact Mass454.20
IUPAC Name4-[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
SMILESCC1(C)CC(CN2CC3(CCN(c4ncnc5sc(CC(F)(F)F)cc45)C3)C2)CCO1
InChIInChI=1S/C22H29F3N4OS/c1-20(2)8-15(3-6-30-20)10-28-11-21(12-28)4-5-29(13-21)18-17-7-16(9-22(23,24)25)31-19(17)27-14-26-18/h7,14-15H,3-6,8-13H2,1-2H3
InChIKeyXODKAZPNADLUGA-UHFFFAOYSA-N
XLogP4.51
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.56
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

4-(4-(5,5-Dimethyl-4,5-dihydrothiazol-2-yl)piperazin-1-yl)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine
CID 72201086
6-(2,2-Difluoroethyl)-4-[4-(5,5-Dimethyl-4,5-Dihydro-1,3-Thiazol-2-Yl)piperazin-1-Yl]thieno[2,3-D]pyrimidine
CID 122189305
4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-6-(1,1,1-trifluoropropan-2-yl)thieno[2,3-d]pyrimidine
CID 86298082
4-(2-Benzyl-2,7-diazaspiro[3.4]octan-7-yl)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine
CID 129286056
4-(2-Benzyl-2,7-diazaspiro[4.5]decan-7-yl)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine
CID 134353059
4-[2-[(1R)-1-(azetidin-3-yl)-2-methylpropyl]-2,7-diazaspiro[3.4]octan-7-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine
CID 134353337
4-[2-[(1S)-1-(azetidin-3-yl)-2-methylpropyl]-2,7-diazaspiro[3.4]octan-7-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine
CID 139315241
5,6-Dimethyl-4-[4-[2-(1-methylpyrrolidin-2-yl)ethoxymethyl]piperidin-1-yl]thieno[2,3-d]pyrimidine
CID 71572355
5-(3-Fluorophenyl)-4-[4-[2-(1-methylpyrrolidin-2-yl)ethoxymethyl]piperidin-1-yl]thieno[2,3-d]pyrimidine
CID 89579491
4-[4-[2-(1-Methylpiperidin-2-yl)ethoxymethyl]piperidin-1-yl]-6-propan-2-ylthieno[2,3-d]pyrimidine
CID 89579579
5-Ethyl-6-methyl-4-[4-[2-(1-methylpyrrolidin-2-yl)ethoxymethyl]piperidin-1-yl]thieno[2,3-d]pyrimidine
CID 89579967
4-[2-[[1-(6-Propan-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methoxy]ethyl]morpholine
CID 89580103

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)CC(CN2CC3(CCN(c4ncnc5sc(CC(F)(F)F)cc45)C3)C2)CCO1.
What is the InChIKey of 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?
The InChIKey is XODKAZPNADLUGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29F3N4OS/c1-20(2)8-15(3-6-30-20)10-28-11-21(12-28)4-5-29(13-21)18-17-7-16(9-22(23,24)25)31-19(17)27-14-26-18/h7,14-15H,3-6,8-13H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 454.56 g/mol, XLogP of 4.51, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 134352879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).