6-(2,2,2-trifluoroethyl)-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]thieno[2,3-d]pyrimidin-4-amine

C21H20F6N4S — CID 86296693

IUPAC6-(2,2,2-trifluoroethyl)-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]thieno[2,3-d]pyrimidin-4-amine
SMILESFC(F)(F)Cc1cc2c(NC3CCN(Cc4ccc(C(F)(F)F)cc4)CC3)ncnc2s1
InChIInChI=1S/C21H20F6N4S/c22-20(23,24)10-16-9-17-18(28-12-29-19(17)32-16)30-15-5-7-31(8-6-15)11-13-1-3-14(4-2-13)21(25,26)27/h1-4,9,12,15H,5-8,10-11H2,(H,28,29,30)
InChIKeyMHSYQXJQCSGOLD-UHFFFAOYSA-N
MW474.47 g/mol
LogP5.89
Rot. Bonds5

About 6-(2,2,2-trifluoroethyl)-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]thieno[2,3-d]pyrimidin-4-amine

6-(2,2,2-trifluoroethyl)-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 86296693) has the molecular formula C21H20F6N4S and a molecular weight of 474.47 g/mol. Its IUPAC name is 6-(2,2,2-trifluoroethyl)-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(2,2,2-trifluoroethyl)-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID86296693
Molecular FormulaC21H20F6N4S
Molecular Weight474.47 g/mol
Exact Mass474.13
IUPAC Name6-(2,2,2-trifluoroethyl)-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]thieno[2,3-d]pyrimidin-4-amine
SMILESFC(F)(F)Cc1cc2c(NC3CCN(Cc4ccc(C(F)(F)F)cc4)CC3)ncnc2s1
InChIInChI=1S/C21H20F6N4S/c22-20(23,24)10-16-9-17-18(28-12-29-19(17)32-16)30-15-5-7-31(8-6-15)11-13-1-3-14(4-2-13)21(25,26)27/h1-4,9,12,15H,5-8,10-11H2,(H,28,29,30)
InChIKeyMHSYQXJQCSGOLD-UHFFFAOYSA-N
XLogP5.89
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.47
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-(2,2,2-trifluoroethyl)-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]thieno[2,3-d]pyrimidin-4-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(2,2,2-trifluoroethyl)-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-(2,2,2-trifluoroethyl)-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]thieno[2,3-d]pyrimidin-4-amine (CID 86296693) is 6-(2,2,2-trifluoroethyl)-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-(2,2,2-trifluoroethyl)-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-(2,2,2-trifluoroethyl)-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]thieno[2,3-d]pyrimidin-4-amine is FC(F)(F)Cc1cc2c(NC3CCN(Cc4ccc(C(F)(F)F)cc4)CC3)ncnc2s1.
What is the InChIKey of 6-(2,2,2-trifluoroethyl)-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is MHSYQXJQCSGOLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F6N4S/c22-20(23,24)10-16-9-17-18(28-12-29-19(17)32-16)30-15-5-7-31(8-6-15)11-13-1-3-14(4-2-13)21(25,26)27/h1-4,9,12,15H,5-8,10-11H2,(H,28,29,30).
What are the key properties of 6-(2,2,2-trifluoroethyl)-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]thieno[2,3-d]pyrimidin-4-amine?
6-(2,2,2-trifluoroethyl)-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 474.47 g/mol, XLogP of 5.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2,2-trifluoroethyl)-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 86296693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).