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

C24H30F3N5OS — CID 155518660

IUPACN-[1-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCN(C)CCOc1cccc(CN2CCC(Nc3ncnc4sc(CC(F)(F)F)cc34)CC2)c1
InChIInChI=1S/C24H30F3N5OS/c1-31(2)10-11-33-19-5-3-4-17(12-19)15-32-8-6-18(7-9-32)30-22-21-13-20(14-24(25,26)27)34-23(21)29-16-28-22/h3-5,12-13,16,18H,6-11,14-15H2,1-2H3,(H,28,29,30)
InChIKeyFGWGLQMPNQASED-UHFFFAOYSA-N
MW493.60 g/mol
LogP4.81
Rot. Bonds9

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

N-[1-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 155518660) has the molecular formula C24H30F3N5OS and a molecular weight of 493.60 g/mol. Its IUPAC name is N-[1-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID155518660
Molecular FormulaC24H30F3N5OS
Molecular Weight493.60 g/mol
Exact Mass493.21
IUPAC NameN-[1-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCN(C)CCOc1cccc(CN2CCC(Nc3ncnc4sc(CC(F)(F)F)cc34)CC2)c1
InChIInChI=1S/C24H30F3N5OS/c1-31(2)10-11-33-19-5-3-4-17(12-19)15-32-8-6-18(7-9-32)30-22-21-13-20(14-24(25,26)27)34-23(21)29-16-28-22/h3-5,12-13,16,18H,6-11,14-15H2,1-2H3,(H,28,29,30)
InChIKeyFGWGLQMPNQASED-UHFFFAOYSA-N
XLogP4.81
TPSA53.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.60
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[1-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)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 N-[1-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[1-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine (CID 155518660) is N-[1-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[1-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[1-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine is CN(C)CCOc1cccc(CN2CCC(Nc3ncnc4sc(CC(F)(F)F)cc34)CC2)c1.
What is the InChIKey of N-[1-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is FGWGLQMPNQASED-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30F3N5OS/c1-31(2)10-11-33-19-5-3-4-17(12-19)15-32-8-6-18(7-9-32)30-22-21-13-20(14-24(25,26)27)34-23(21)29-16-28-22/h3-5,12-13,16,18H,6-11,14-15H2,1-2H3,(H,28,29,30).
What are the key properties of N-[1-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine?
N-[1-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 493.60 g/mol, XLogP of 4.81, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 155518660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).