4-[5-(4-bromophenyl)thieno[2,3-d]pyrimidin-4-yl]morpholine

C16H14BrN3OS — CID 1224171

IUPAC4-[5-(4-bromophenyl)thieno[2,3-d]pyrimidin-4-yl]morpholine
SMILESBrc1ccc(-c2csc3ncnc(N4CCOCC4)c23)cc1
InChIInChI=1S/C16H14BrN3OS/c17-12-3-1-11(2-4-12)13-9-22-16-14(13)15(18-10-19-16)20-5-7-21-8-6-20/h1-4,9-10H,5-8H2
InChIKeyAEFDODGYVZBVQQ-UHFFFAOYSA-N
MW376.28 g/mol
LogP3.96
Rot. Bonds2

About 4-[5-(4-bromophenyl)thieno[2,3-d]pyrimidin-4-yl]morpholine

4-[5-(4-bromophenyl)thieno[2,3-d]pyrimidin-4-yl]morpholine (PubChem CID 1224171) has the molecular formula C16H14BrN3OS and a molecular weight of 376.28 g/mol. Its IUPAC name is 4-[5-(4-bromophenyl)thieno[2,3-d]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[5-(4-bromophenyl)thieno[2,3-d]pyrimidin-4-yl]morpholine
PubChem CID1224171
Molecular FormulaC16H14BrN3OS
Molecular Weight376.28 g/mol
Exact Mass375.00
IUPAC Name4-[5-(4-bromophenyl)thieno[2,3-d]pyrimidin-4-yl]morpholine
SMILESBrc1ccc(-c2csc3ncnc(N4CCOCC4)c23)cc1
InChIInChI=1S/C16H14BrN3OS/c17-12-3-1-11(2-4-12)13-9-22-16-14(13)15(18-10-19-16)20-5-7-21-8-6-20/h1-4,9-10H,5-8H2
InChIKeyAEFDODGYVZBVQQ-UHFFFAOYSA-N
XLogP3.96
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.28
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-bromophenyl)thieno[2,3-d]pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[5-(4-bromophenyl)thieno[2,3-d]pyrimidin-4-yl]morpholine (CID 1224171) is 4-[5-(4-bromophenyl)thieno[2,3-d]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[5-(4-bromophenyl)thieno[2,3-d]pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[5-(4-bromophenyl)thieno[2,3-d]pyrimidin-4-yl]morpholine is Brc1ccc(-c2csc3ncnc(N4CCOCC4)c23)cc1.
What is the InChIKey of 4-[5-(4-bromophenyl)thieno[2,3-d]pyrimidin-4-yl]morpholine?
The InChIKey is AEFDODGYVZBVQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN3OS/c17-12-3-1-11(2-4-12)13-9-22-16-14(13)15(18-10-19-16)20-5-7-21-8-6-20/h1-4,9-10H,5-8H2.
What are the key properties of 4-[5-(4-bromophenyl)thieno[2,3-d]pyrimidin-4-yl]morpholine?
4-[5-(4-bromophenyl)thieno[2,3-d]pyrimidin-4-yl]morpholine has a molecular weight of 376.28 g/mol, XLogP of 3.96, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-bromophenyl)thieno[2,3-d]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 1224171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).