2-(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-3-amine

C21H18F3N7OS — CID 1204985

IUPAC2-(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-3-amine
SMILESNc1nc(-c2sc3nc(-c4ccccc4)cc(C(F)(F)F)c3c2N)nc(N2CCOCC2)n1
InChIInChI=1S/C21H18F3N7OS/c22-21(23,24)12-10-13(11-4-2-1-3-5-11)27-18-14(12)15(25)16(33-18)17-28-19(26)30-20(29-17)31-6-8-32-9-7-31/h1-5,10H,6-9,25H2,(H2,26,28,29,30)
InChIKeyPQXBNZLPMLLUBP-UHFFFAOYSA-N
MW473.48 g/mol
LogP3.84
Rot. Bonds3

About 2-(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-3-amine

2-(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-3-amine (PubChem CID 1204985) has the molecular formula C21H18F3N7OS and a molecular weight of 473.48 g/mol. Its IUPAC name is 2-(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-3-amine.

Molecular Properties

Compound Name2-(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-3-amine
PubChem CID1204985
Molecular FormulaC21H18F3N7OS
Molecular Weight473.48 g/mol
Exact Mass473.12
IUPAC Name2-(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-3-amine
SMILESNc1nc(-c2sc3nc(-c4ccccc4)cc(C(F)(F)F)c3c2N)nc(N2CCOCC2)n1
InChIInChI=1S/C21H18F3N7OS/c22-21(23,24)12-10-13(11-4-2-1-3-5-11)27-18-14(12)15(25)16(33-18)17-28-19(26)30-20(29-17)31-6-8-32-9-7-31/h1-5,10H,6-9,25H2,(H2,26,28,29,30)
InChIKeyPQXBNZLPMLLUBP-UHFFFAOYSA-N
XLogP3.84
TPSA116.07 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.48
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-3-amine?
The IUPAC name of 2-(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-3-amine (CID 1204985) is 2-(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-3-amine.
What is the SMILES notation for 2-(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-3-amine?
The canonical SMILES for 2-(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-3-amine is Nc1nc(-c2sc3nc(-c4ccccc4)cc(C(F)(F)F)c3c2N)nc(N2CCOCC2)n1.
What is the InChIKey of 2-(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-3-amine?
The InChIKey is PQXBNZLPMLLUBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3N7OS/c22-21(23,24)12-10-13(11-4-2-1-3-5-11)27-18-14(12)15(25)16(33-18)17-28-19(26)30-20(29-17)31-6-8-32-9-7-31/h1-5,10H,6-9,25H2,(H2,26,28,29,30).
What are the key properties of 2-(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-3-amine?
2-(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-3-amine has a molecular weight of 473.48 g/mol, XLogP of 3.84, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-3-amine is sourced from PubChem (CID 1204985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).