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

C20H15F3N4S — CID 18460512

IUPACN-(2-phenylethyl)-2-pyridin-2-yl-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESFC(F)(F)c1cc2c(NCCc3ccccc3)nc(-c3ccccn3)nc2s1
InChIInChI=1S/C20H15F3N4S/c21-20(22,23)16-12-14-17(25-11-9-13-6-2-1-3-7-13)26-18(27-19(14)28-16)15-8-4-5-10-24-15/h1-8,10,12H,9,11H2,(H,25,26,27)
InChIKeyTZVBRWKJLKXQDP-UHFFFAOYSA-N
MW400.43 g/mol
LogP5.43
Rot. Bonds5

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

N-(2-phenylethyl)-2-pyridin-2-yl-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 18460512) has the molecular formula C20H15F3N4S and a molecular weight of 400.43 g/mol. Its IUPAC name is N-(2-phenylethyl)-2-pyridin-2-yl-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-phenylethyl)-2-pyridin-2-yl-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID18460512
Molecular FormulaC20H15F3N4S
Molecular Weight400.43 g/mol
Exact Mass400.10
IUPAC NameN-(2-phenylethyl)-2-pyridin-2-yl-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESFC(F)(F)c1cc2c(NCCc3ccccc3)nc(-c3ccccn3)nc2s1
InChIInChI=1S/C20H15F3N4S/c21-20(22,23)16-12-14-17(25-11-9-13-6-2-1-3-7-13)26-18(27-19(14)28-16)15-8-4-5-10-24-15/h1-8,10,12H,9,11H2,(H,25,26,27)
InChIKeyTZVBRWKJLKXQDP-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

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Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-2-pyridin-2-yl-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(2-phenylethyl)-2-pyridin-2-yl-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine (CID 18460512) is N-(2-phenylethyl)-2-pyridin-2-yl-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(2-phenylethyl)-2-pyridin-2-yl-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(2-phenylethyl)-2-pyridin-2-yl-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine is FC(F)(F)c1cc2c(NCCc3ccccc3)nc(-c3ccccn3)nc2s1.
What is the InChIKey of N-(2-phenylethyl)-2-pyridin-2-yl-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is TZVBRWKJLKXQDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N4S/c21-20(22,23)16-12-14-17(25-11-9-13-6-2-1-3-7-13)26-18(27-19(14)28-16)15-8-4-5-10-24-15/h1-8,10,12H,9,11H2,(H,25,26,27).
What are the key properties of N-(2-phenylethyl)-2-pyridin-2-yl-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine?
N-(2-phenylethyl)-2-pyridin-2-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-2-yl-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 18460512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).