2-[(5-bromofuran-2-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-amine

C11H8BrN3OS2 — CID 62728609

IUPAC2-[(5-bromofuran-2-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-amine
SMILESNc1nc(SCc2ccc(Br)o2)nc2sccc12
InChIInChI=1S/C11H8BrN3OS2/c12-8-2-1-6(16-8)5-18-11-14-9(13)7-3-4-17-10(7)15-11/h1-4H,5H2,(H2,13,14,15)
InChIKeyMIDUEZWZQPHOEL-UHFFFAOYSA-N
MW342.24 g/mol
LogP3.92
Rot. Bonds3

About 2-[(5-bromofuran-2-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-amine

2-[(5-bromofuran-2-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 62728609) has the molecular formula C11H8BrN3OS2 and a molecular weight of 342.24 g/mol. Its IUPAC name is 2-[(5-bromofuran-2-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[(5-bromofuran-2-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID62728609
Molecular FormulaC11H8BrN3OS2
Molecular Weight342.24 g/mol
Exact Mass340.93
IUPAC Name2-[(5-bromofuran-2-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-amine
SMILESNc1nc(SCc2ccc(Br)o2)nc2sccc12
InChIInChI=1S/C11H8BrN3OS2/c12-8-2-1-6(16-8)5-18-11-14-9(13)7-3-4-17-10(7)15-11/h1-4H,5H2,(H2,13,14,15)
InChIKeyMIDUEZWZQPHOEL-UHFFFAOYSA-N
XLogP3.92
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.24
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromofuran-2-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-[(5-bromofuran-2-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-amine (CID 62728609) is 2-[(5-bromofuran-2-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-[(5-bromofuran-2-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-[(5-bromofuran-2-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-amine is Nc1nc(SCc2ccc(Br)o2)nc2sccc12.
What is the InChIKey of 2-[(5-bromofuran-2-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is MIDUEZWZQPHOEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrN3OS2/c12-8-2-1-6(16-8)5-18-11-14-9(13)7-3-4-17-10(7)15-11/h1-4H,5H2,(H2,13,14,15).
What are the key properties of 2-[(5-bromofuran-2-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-amine?
2-[(5-bromofuran-2-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 342.24 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromofuran-2-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 62728609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).