N-(2-phenylethyl)-2-pyridin-3-yl-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine

C20H15F3N4S — CID 18459868

IUPACN-(2-phenylethyl)-2-pyridin-3-yl-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESFC(F)(F)c1cc2c(NCCc3ccccc3)nc(-c3cccnc3)nc2s1
InChIInChI=1S/C20H15F3N4S/c21-20(22,23)16-11-15-18(25-10-8-13-5-2-1-3-6-13)26-17(27-19(15)28-16)14-7-4-9-24-12-14/h1-7,9,11-12H,8,10H2,(H,25,26,27)
InChIKeyAGGMIKHTMPYFSB-UHFFFAOYSA-N
MW400.43 g/mol
LogP5.43
Rot. Bonds5

About N-(2-phenylethyl)-2-pyridin-3-yl-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine

N-(2-phenylethyl)-2-pyridin-3-yl-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 18459868) has the molecular formula C20H15F3N4S and a molecular weight of 400.43 g/mol. Its IUPAC name is N-(2-phenylethyl)-2-pyridin-3-yl-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-phenylethyl)-2-pyridin-3-yl-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID18459868
Molecular FormulaC20H15F3N4S
Molecular Weight400.43 g/mol
Exact Mass400.10
IUPAC NameN-(2-phenylethyl)-2-pyridin-3-yl-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESFC(F)(F)c1cc2c(NCCc3ccccc3)nc(-c3cccnc3)nc2s1
InChIInChI=1S/C20H15F3N4S/c21-20(22,23)16-11-15-18(25-10-8-13-5-2-1-3-6-13)26-17(27-19(15)28-16)14-7-4-9-24-12-14/h1-7,9,11-12H,8,10H2,(H,25,26,27)
InChIKeyAGGMIKHTMPYFSB-UHFFFAOYSA-N
XLogP5.43
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.43
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2-phenylethyl)-2-pyridin-3-yl-6-(trifluoromethyl)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

Related Compounds

N-[2-(4-fluorophenyl)ethyl]-2-pyridin-3-ylquinazolin-4-amine
CID 9311182
6-methyl-N-(2-phenylethyl)-2-pyridin-4-ylthieno[2,3-d]pyrimidin-4-amine
CID 18460517
N-(2-methoxyethyl)-6-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine
CID 26455462
2-[(6-ethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol
CID 91965311
4-chloro-6-ethyl-2-pyridin-4-ylthieno[2,3-d]pyrimidine;6-ethyl-N-(2-phenylethyl)-2-pyridin-4-ylthieno[2,3-d]pyrimidin-4-amine
CID 87896161
2-pyridin-2-yl-N-[3-[4-[4-(trifluoromethoxy)phenyl]phenyl]propyl]-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine
CID 166120202
6-methyl-2-(1,2-oxazol-5-yl)-N-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-amine
CID 18460042
N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-6-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine
CID 30039219
1-methyl-N-(4-phenylbutyl)-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 70732300
N-(2-cyclopropylethyl)-2-pyridin-3-ylquinazolin-4-amine
CID 133324203
N-benzyl-7-fluoro-2-pyridin-3-ylquinazolin-4-amine;dihydrochloride
CID 19392183
6-phenyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 167844466

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-2-pyridin-3-yl-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(2-phenylethyl)-2-pyridin-3-yl-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine (CID 18459868) is N-(2-phenylethyl)-2-pyridin-3-yl-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(2-phenylethyl)-2-pyridin-3-yl-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(2-phenylethyl)-2-pyridin-3-yl-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine is FC(F)(F)c1cc2c(NCCc3ccccc3)nc(-c3cccnc3)nc2s1.
What is the InChIKey of N-(2-phenylethyl)-2-pyridin-3-yl-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is AGGMIKHTMPYFSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N4S/c21-20(22,23)16-11-15-18(25-10-8-13-5-2-1-3-6-13)26-17(27-19(15)28-16)14-7-4-9-24-12-14/h1-7,9,11-12H,8,10H2,(H,25,26,27).
What are the key properties of N-(2-phenylethyl)-2-pyridin-3-yl-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine?
N-(2-phenylethyl)-2-pyridin-3-yl-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 400.43 g/mol, XLogP of 5.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-2-pyridin-3-yl-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 18459868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).