4-(5-bromo-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)morpholine

C15H13BrN4OS — CID 129255881

IUPAC4-(5-bromo-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)morpholine
SMILESBrc1csc2nc(-c3ccccn3)nc(N3CCOCC3)c12
InChIInChI=1S/C15H13BrN4OS/c16-10-9-22-15-12(10)14(20-5-7-21-8-6-20)18-13(19-15)11-3-1-2-4-17-11/h1-4,9H,5-8H2
InChIKeyMOQKMWAYYIZKIB-UHFFFAOYSA-N
MW377.27 g/mol
LogP3.35
Rot. Bonds2

About 4-(5-bromo-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)morpholine

4-(5-bromo-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)morpholine (PubChem CID 129255881) has the molecular formula C15H13BrN4OS and a molecular weight of 377.27 g/mol. Its IUPAC name is 4-(5-bromo-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)morpholine.

Molecular Properties

Compound Name4-(5-bromo-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)morpholine
PubChem CID129255881
Molecular FormulaC15H13BrN4OS
Molecular Weight377.27 g/mol
Exact Mass376.00
IUPAC Name4-(5-bromo-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)morpholine
SMILESBrc1csc2nc(-c3ccccn3)nc(N3CCOCC3)c12
InChIInChI=1S/C15H13BrN4OS/c16-10-9-22-15-12(10)14(20-5-7-21-8-6-20)18-13(19-15)11-3-1-2-4-17-11/h1-4,9H,5-8H2
InChIKeyMOQKMWAYYIZKIB-UHFFFAOYSA-N
XLogP3.35
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.27
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)morpholine?
The IUPAC name of 4-(5-bromo-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)morpholine (CID 129255881) is 4-(5-bromo-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)morpholine.
What is the SMILES notation for 4-(5-bromo-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)morpholine?
The canonical SMILES for 4-(5-bromo-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)morpholine is Brc1csc2nc(-c3ccccn3)nc(N3CCOCC3)c12.
What is the InChIKey of 4-(5-bromo-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)morpholine?
The InChIKey is MOQKMWAYYIZKIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN4OS/c16-10-9-22-15-12(10)14(20-5-7-21-8-6-20)18-13(19-15)11-3-1-2-4-17-11/h1-4,9H,5-8H2.
What are the key properties of 4-(5-bromo-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)morpholine?
4-(5-bromo-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)morpholine has a molecular weight of 377.27 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)morpholine is sourced from PubChem (CID 129255881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).