4-[2-[1-(2-methoxyphenyl)propan-2-yl]-2,7-diazaspiro[3.4]octan-7-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine

C24H27F3N4OS — CID 134353283

IUPAC4-[2-[1-(2-methoxyphenyl)propan-2-yl]-2,7-diazaspiro[3.4]octan-7-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine
SMILESCOc1ccccc1CC(C)N1CC2(CCN(c3ncnc4sc(CC(F)(F)F)cc34)C2)C1
InChIInChI=1S/C24H27F3N4OS/c1-16(9-17-5-3-4-6-20(17)32-2)31-13-23(14-31)7-8-30(12-23)21-19-10-18(11-24(25,26)27)33-22(19)29-15-28-21/h3-6,10,15-16H,7-9,11-14H2,1-2H3
InChIKeyCFYQCKAORZOBNE-UHFFFAOYSA-N
MW476.57 g/mol
LogP4.95
Rot. Bonds6

About 4-[2-[1-(2-methoxyphenyl)propan-2-yl]-2,7-diazaspiro[3.4]octan-7-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine

4-[2-[1-(2-methoxyphenyl)propan-2-yl]-2,7-diazaspiro[3.4]octan-7-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine (PubChem CID 134353283) has the molecular formula C24H27F3N4OS and a molecular weight of 476.57 g/mol. Its IUPAC name is 4-[2-[1-(2-methoxyphenyl)propan-2-yl]-2,7-diazaspiro[3.4]octan-7-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-[2-[1-(2-methoxyphenyl)propan-2-yl]-2,7-diazaspiro[3.4]octan-7-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine
PubChem CID134353283
Molecular FormulaC24H27F3N4OS
Molecular Weight476.57 g/mol
Exact Mass476.19
IUPAC Name4-[2-[1-(2-methoxyphenyl)propan-2-yl]-2,7-diazaspiro[3.4]octan-7-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine
SMILESCOc1ccccc1CC(C)N1CC2(CCN(c3ncnc4sc(CC(F)(F)F)cc34)C2)C1
InChIInChI=1S/C24H27F3N4OS/c1-16(9-17-5-3-4-6-20(17)32-2)31-13-23(14-31)7-8-30(12-23)21-19-10-18(11-24(25,26)27)33-22(19)29-15-28-21/h3-6,10,15-16H,7-9,11-14H2,1-2H3
InChIKeyCFYQCKAORZOBNE-UHFFFAOYSA-N
XLogP4.95
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.57
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[2-[1-(2-methoxyphenyl)propan-2-yl]-2,7-diazaspiro[3.4]octan-7-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[1-(2-methoxyphenyl)propan-2-yl]-2,7-diazaspiro[3.4]octan-7-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine?
The IUPAC name of 4-[2-[1-(2-methoxyphenyl)propan-2-yl]-2,7-diazaspiro[3.4]octan-7-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine (CID 134353283) is 4-[2-[1-(2-methoxyphenyl)propan-2-yl]-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-[1-(2-methoxyphenyl)propan-2-yl]-2,7-diazaspiro[3.4]octan-7-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine?
The canonical SMILES for 4-[2-[1-(2-methoxyphenyl)propan-2-yl]-2,7-diazaspiro[3.4]octan-7-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine is COc1ccccc1CC(C)N1CC2(CCN(c3ncnc4sc(CC(F)(F)F)cc34)C2)C1.
What is the InChIKey of 4-[2-[1-(2-methoxyphenyl)propan-2-yl]-2,7-diazaspiro[3.4]octan-7-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine?
The InChIKey is CFYQCKAORZOBNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F3N4OS/c1-16(9-17-5-3-4-6-20(17)32-2)31-13-23(14-31)7-8-30(12-23)21-19-10-18(11-24(25,26)27)33-22(19)29-15-28-21/h3-6,10,15-16H,7-9,11-14H2,1-2H3.
What are the key properties of 4-[2-[1-(2-methoxyphenyl)propan-2-yl]-2,7-diazaspiro[3.4]octan-7-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine?
4-[2-[1-(2-methoxyphenyl)propan-2-yl]-2,7-diazaspiro[3.4]octan-7-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine has a molecular weight of 476.57 g/mol, XLogP of 4.95, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[1-(2-methoxyphenyl)propan-2-yl]-2,7-diazaspiro[3.4]octan-7-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine is sourced from PubChem (CID 134353283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).