5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine

C16H13BrF3N5OS — CID 118012137

IUPAC5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine
SMILESNc1cc(C(F)(F)F)c(-c2nc(N3CCOCC3)nc3c(Br)csc23)cn1
InChIInChI=1S/C16H13BrF3N5OS/c17-10-7-27-14-12(8-6-22-11(21)5-9(8)16(18,19)20)23-15(24-13(10)14)25-1-3-26-4-2-25/h5-7H,1-4H2,(H2,21,22)
InChIKeyKFJGWRCDTSUTLD-UHFFFAOYSA-N
MW460.28 g/mol
LogP3.95
Rot. Bonds2

About 5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine

5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 118012137) has the molecular formula C16H13BrF3N5OS and a molecular weight of 460.28 g/mol. Its IUPAC name is 5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine
PubChem CID118012137
Molecular FormulaC16H13BrF3N5OS
Molecular Weight460.28 g/mol
Exact Mass459.00
IUPAC Name5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine
SMILESNc1cc(C(F)(F)F)c(-c2nc(N3CCOCC3)nc3c(Br)csc23)cn1
InChIInChI=1S/C16H13BrF3N5OS/c17-10-7-27-14-12(8-6-22-11(21)5-9(8)16(18,19)20)23-15(24-13(10)14)25-1-3-26-4-2-25/h5-7H,1-4H2,(H2,21,22)
InChIKeyKFJGWRCDTSUTLD-UHFFFAOYSA-N
XLogP3.95
TPSA77.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.28
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine (CID 118012137) is 5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine is Nc1cc(C(F)(F)F)c(-c2nc(N3CCOCC3)nc3c(Br)csc23)cn1.
What is the InChIKey of 5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is KFJGWRCDTSUTLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrF3N5OS/c17-10-7-27-14-12(8-6-22-11(21)5-9(8)16(18,19)20)23-15(24-13(10)14)25-1-3-26-4-2-25/h5-7H,1-4H2,(H2,21,22).
What are the key properties of 5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine?
5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 460.28 g/mol, XLogP of 3.95, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 118012137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).