N-(6-morpholin-4-yl-3-pyridinyl)-7-[2-(trifluoromethyl)phenyl]thieno[3,2-d]pyrimidin-2-amine

C22H18F3N5OS — CID 52932072

IUPACN-(6-morpholin-4-yl-3-pyridinyl)-7-[2-(trifluoromethyl)phenyl]thieno[3,2-d]pyrimidin-2-amine
SMILESFC(F)(F)c1ccccc1-c1csc2cnc(Nc3ccc(N4CCOCC4)nc3)nc12
InChIInChI=1S/C22H18F3N5OS/c23-22(24,25)17-4-2-1-3-15(17)16-13-32-18-12-27-21(29-20(16)18)28-14-5-6-19(26-11-14)30-7-9-31-10-8-30/h1-6,11-13H,7-10H2,(H,27,28,29)
InChIKeyRIFYMHQZFLHXFY-UHFFFAOYSA-N
MW457.48 g/mol
LogP5.35
Rot. Bonds4

About N-(6-morpholin-4-yl-3-pyridinyl)-7-[2-(trifluoromethyl)phenyl]thieno[3,2-d]pyrimidin-2-amine

N-(6-morpholin-4-yl-3-pyridinyl)-7-[2-(trifluoromethyl)phenyl]thieno[3,2-d]pyrimidin-2-amine (PubChem CID 52932072) has the molecular formula C22H18F3N5OS and a molecular weight of 457.48 g/mol. Its IUPAC name is N-(6-morpholin-4-yl-3-pyridinyl)-7-[2-(trifluoromethyl)phenyl]thieno[3,2-d]pyrimidin-2-amine.

Molecular Properties

Compound NameN-(6-morpholin-4-yl-3-pyridinyl)-7-[2-(trifluoromethyl)phenyl]thieno[3,2-d]pyrimidin-2-amine
PubChem CID52932072
Molecular FormulaC22H18F3N5OS
Molecular Weight457.48 g/mol
Exact Mass457.12
IUPAC NameN-(6-morpholin-4-yl-3-pyridinyl)-7-[2-(trifluoromethyl)phenyl]thieno[3,2-d]pyrimidin-2-amine
SMILESFC(F)(F)c1ccccc1-c1csc2cnc(Nc3ccc(N4CCOCC4)nc3)nc12
InChIInChI=1S/C22H18F3N5OS/c23-22(24,25)17-4-2-1-3-15(17)16-13-32-18-12-27-21(29-20(16)18)28-14-5-6-19(26-11-14)30-7-9-31-10-8-30/h1-6,11-13H,7-10H2,(H,27,28,29)
InChIKeyRIFYMHQZFLHXFY-UHFFFAOYSA-N
XLogP5.35
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.48
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(6-morpholin-4-yl-3-pyridinyl)-7-[2-(trifluoromethyl)phenyl]thieno[3,2-d]pyrimidin-2-amine?
The IUPAC name of N-(6-morpholin-4-yl-3-pyridinyl)-7-[2-(trifluoromethyl)phenyl]thieno[3,2-d]pyrimidin-2-amine (CID 52932072) is N-(6-morpholin-4-yl-3-pyridinyl)-7-[2-(trifluoromethyl)phenyl]thieno[3,2-d]pyrimidin-2-amine.
What is the SMILES notation for N-(6-morpholin-4-yl-3-pyridinyl)-7-[2-(trifluoromethyl)phenyl]thieno[3,2-d]pyrimidin-2-amine?
The canonical SMILES for N-(6-morpholin-4-yl-3-pyridinyl)-7-[2-(trifluoromethyl)phenyl]thieno[3,2-d]pyrimidin-2-amine is FC(F)(F)c1ccccc1-c1csc2cnc(Nc3ccc(N4CCOCC4)nc3)nc12.
What is the InChIKey of N-(6-morpholin-4-yl-3-pyridinyl)-7-[2-(trifluoromethyl)phenyl]thieno[3,2-d]pyrimidin-2-amine?
The InChIKey is RIFYMHQZFLHXFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F3N5OS/c23-22(24,25)17-4-2-1-3-15(17)16-13-32-18-12-27-21(29-20(16)18)28-14-5-6-19(26-11-14)30-7-9-31-10-8-30/h1-6,11-13H,7-10H2,(H,27,28,29).
What are the key properties of N-(6-morpholin-4-yl-3-pyridinyl)-7-[2-(trifluoromethyl)phenyl]thieno[3,2-d]pyrimidin-2-amine?
N-(6-morpholin-4-yl-3-pyridinyl)-7-[2-(trifluoromethyl)phenyl]thieno[3,2-d]pyrimidin-2-amine has a molecular weight of 457.48 g/mol, XLogP of 5.35, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-morpholin-4-yl-3-pyridinyl)-7-[2-(trifluoromethyl)phenyl]thieno[3,2-d]pyrimidin-2-amine is sourced from PubChem (CID 52932072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).