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

C16H14BrN3OS2 — CID 1479967

IUPAC4-[2-(4-bromophenyl)sulfanylthieno[3,2-d]pyrimidin-4-yl]morpholine
SMILESBrc1ccc(Sc2nc(N3CCOCC3)c3sccc3n2)cc1
InChIInChI=1S/C16H14BrN3OS2/c17-11-1-3-12(4-2-11)23-16-18-13-5-10-22-14(13)15(19-16)20-6-8-21-9-7-20/h1-5,10H,6-9H2
InChIKeyQUXCDQJPSYTFHJ-UHFFFAOYSA-N
MW408.35 g/mol
LogP4.44
Rot. Bonds3

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

4-[2-(4-bromophenyl)sulfanylthieno[3,2-d]pyrimidin-4-yl]morpholine (PubChem CID 1479967) has the molecular formula C16H14BrN3OS2 and a molecular weight of 408.35 g/mol. Its IUPAC name is 4-[2-(4-bromophenyl)sulfanylthieno[3,2-d]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[2-(4-bromophenyl)sulfanylthieno[3,2-d]pyrimidin-4-yl]morpholine
PubChem CID1479967
Molecular FormulaC16H14BrN3OS2
Molecular Weight408.35 g/mol
Exact Mass406.98
IUPAC Name4-[2-(4-bromophenyl)sulfanylthieno[3,2-d]pyrimidin-4-yl]morpholine
SMILESBrc1ccc(Sc2nc(N3CCOCC3)c3sccc3n2)cc1
InChIInChI=1S/C16H14BrN3OS2/c17-11-1-3-12(4-2-11)23-16-18-13-5-10-22-14(13)15(19-16)20-6-8-21-9-7-20/h1-5,10H,6-9H2
InChIKeyQUXCDQJPSYTFHJ-UHFFFAOYSA-N
XLogP4.44
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.35
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-bromophenyl)sulfanylthieno[3,2-d]pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[2-(4-bromophenyl)sulfanylthieno[3,2-d]pyrimidin-4-yl]morpholine (CID 1479967) is 4-[2-(4-bromophenyl)sulfanylthieno[3,2-d]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[2-(4-bromophenyl)sulfanylthieno[3,2-d]pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[2-(4-bromophenyl)sulfanylthieno[3,2-d]pyrimidin-4-yl]morpholine is Brc1ccc(Sc2nc(N3CCOCC3)c3sccc3n2)cc1.
What is the InChIKey of 4-[2-(4-bromophenyl)sulfanylthieno[3,2-d]pyrimidin-4-yl]morpholine?
The InChIKey is QUXCDQJPSYTFHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN3OS2/c17-11-1-3-12(4-2-11)23-16-18-13-5-10-22-14(13)15(19-16)20-6-8-21-9-7-20/h1-5,10H,6-9H2.
What are the key properties of 4-[2-(4-bromophenyl)sulfanylthieno[3,2-d]pyrimidin-4-yl]morpholine?
4-[2-(4-bromophenyl)sulfanylthieno[3,2-d]pyrimidin-4-yl]morpholine has a molecular weight of 408.35 g/mol, XLogP of 4.44, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-bromophenyl)sulfanylthieno[3,2-d]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 1479967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).