4-(2-benzyl-2,7-diazaspiro[4.5]decan-7-yl)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine

C23H25F3N4S — CID 134353059

IUPAC4-(2-benzyl-2,7-diazaspiro[4.5]decan-7-yl)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine
SMILESFC(F)(F)Cc1cc2c(N3CCCC4(CCN(Cc5ccccc5)C4)C3)ncnc2s1
InChIInChI=1S/C23H25F3N4S/c24-23(25,26)12-18-11-19-20(27-16-28-21(19)31-18)30-9-4-7-22(15-30)8-10-29(14-22)13-17-5-2-1-3-6-17/h1-3,5-6,11,16H,4,7-10,12-15H2
InChIKeyDUJLPWXXOJAVKA-UHFFFAOYSA-N
MW446.54 g/mol
LogP5.29
Rot. Bonds4

About 4-(2-benzyl-2,7-diazaspiro[4.5]decan-7-yl)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine

4-(2-benzyl-2,7-diazaspiro[4.5]decan-7-yl)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine (PubChem CID 134353059) has the molecular formula C23H25F3N4S and a molecular weight of 446.54 g/mol. Its IUPAC name is 4-(2-benzyl-2,7-diazaspiro[4.5]decan-7-yl)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-(2-benzyl-2,7-diazaspiro[4.5]decan-7-yl)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine
PubChem CID134353059
Molecular FormulaC23H25F3N4S
Molecular Weight446.54 g/mol
Exact Mass446.18
IUPAC Name4-(2-benzyl-2,7-diazaspiro[4.5]decan-7-yl)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine
SMILESFC(F)(F)Cc1cc2c(N3CCCC4(CCN(Cc5ccccc5)C4)C3)ncnc2s1
InChIInChI=1S/C23H25F3N4S/c24-23(25,26)12-18-11-19-20(27-16-28-21(19)31-18)30-9-4-7-22(15-30)8-10-29(14-22)13-17-5-2-1-3-6-17/h1-3,5-6,11,16H,4,7-10,12-15H2
InChIKeyDUJLPWXXOJAVKA-UHFFFAOYSA-N
XLogP5.29
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.54
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-(2-benzyl-2,7-diazaspiro[4.5]decan-7-yl)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine 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-Benzyl-1-(thieno(2,3-d)pyrimidin-4-yl)piperidine
CID 2100018
4-(4-(5,5-Dimethyl-4,5-dihydrothiazol-2-yl)piperazin-1-yl)-6-propylthieno[2,3-d]pyrimidine
CID 54765302
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
4-{4-[5-(Difluoromethyl)-1,3,4-Thiadiazol-2-Yl]piperazin-1-Yl}-6-(2,2,2-Trifluoroethyl)thieno[2,3-D]pyrimidine
CID 86297462
6-(2,2,2-Trifluoroethyl)-4-{4-[5-(Trifluoromethyl)-1,3,4-Thiadiazol-2-Yl]piperazin-1-Yl}thieno[2,3-D]pyrimidine
CID 86297465
4-[4-(5-Methyl-1,3,4-Thiadiazol-2-Yl)piperazin-1-Yl]-6-(2,2,2-Trifluoroethyl)thieno[2,3-D]pyrimidine
CID 90453086
4-[4-(5,5-Dimethyl-4,5-Dihydro-1,3-Thiazol-2-Yl)piperazin-1-Yl]-6-(Pentafluoroethyl)thieno[2,3-D]pyrimidine
CID 90453135
N-[3-(diethylamino)propyl]-5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 1608673
N-benzylthieno[2,3-d]pyrimidin-4-amine
CID 2139597
4-Benzylsulfanylthieno[2,3-d]pyrimidine
CID 710987
4-[4-(5,5-Dimethyl-4,5-Dihydro-1,3-Thiazol-2-Yl)piperazin-1-Yl]-6-(2-Fluoroethyl)thieno[2,3-D]pyrimidine
CID 91864570
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

Frequently Asked Questions

What is the IUPAC name of 4-(2-benzyl-2,7-diazaspiro[4.5]decan-7-yl)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine?
The IUPAC name of 4-(2-benzyl-2,7-diazaspiro[4.5]decan-7-yl)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine (CID 134353059) is 4-(2-benzyl-2,7-diazaspiro[4.5]decan-7-yl)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-(2-benzyl-2,7-diazaspiro[4.5]decan-7-yl)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine?
The canonical SMILES for 4-(2-benzyl-2,7-diazaspiro[4.5]decan-7-yl)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine is FC(F)(F)Cc1cc2c(N3CCCC4(CCN(Cc5ccccc5)C4)C3)ncnc2s1.
What is the InChIKey of 4-(2-benzyl-2,7-diazaspiro[4.5]decan-7-yl)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine?
The InChIKey is DUJLPWXXOJAVKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F3N4S/c24-23(25,26)12-18-11-19-20(27-16-28-21(19)31-18)30-9-4-7-22(15-30)8-10-29(14-22)13-17-5-2-1-3-6-17/h1-3,5-6,11,16H,4,7-10,12-15H2.
What are the key properties of 4-(2-benzyl-2,7-diazaspiro[4.5]decan-7-yl)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine?
4-(2-benzyl-2,7-diazaspiro[4.5]decan-7-yl)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine has a molecular weight of 446.54 g/mol, XLogP of 5.29, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-benzyl-2,7-diazaspiro[4.5]decan-7-yl)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine is sourced from PubChem (CID 134353059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).