4-[(5-bromo-3-pyridinyl)oxy]thieno[2,3-d]pyrimidin-2-amine

C11H7BrN4OS — CID 103332787

IUPAC4-[(5-bromo-3-pyridinyl)oxy]thieno[2,3-d]pyrimidin-2-amine
SMILESNc1nc(Oc2cncc(Br)c2)c2ccsc2n1
InChIInChI=1S/C11H7BrN4OS/c12-6-3-7(5-14-4-6)17-9-8-1-2-18-10(8)16-11(13)15-9/h1-5H,(H2,13,15,16)
InChIKeyCLBITHYSHKZSRH-UHFFFAOYSA-N
MW323.18 g/mol
LogP3.22
Rot. Bonds2

About 4-[(5-bromo-3-pyridinyl)oxy]thieno[2,3-d]pyrimidin-2-amine

4-[(5-bromo-3-pyridinyl)oxy]thieno[2,3-d]pyrimidin-2-amine (PubChem CID 103332787) has the molecular formula C11H7BrN4OS and a molecular weight of 323.18 g/mol. Its IUPAC name is 4-[(5-bromo-3-pyridinyl)oxy]thieno[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[(5-bromo-3-pyridinyl)oxy]thieno[2,3-d]pyrimidin-2-amine
PubChem CID103332787
Molecular FormulaC11H7BrN4OS
Molecular Weight323.18 g/mol
Exact Mass321.95
IUPAC Name4-[(5-bromo-3-pyridinyl)oxy]thieno[2,3-d]pyrimidin-2-amine
SMILESNc1nc(Oc2cncc(Br)c2)c2ccsc2n1
InChIInChI=1S/C11H7BrN4OS/c12-6-3-7(5-14-4-6)17-9-8-1-2-18-10(8)16-11(13)15-9/h1-5H,(H2,13,15,16)
InChIKeyCLBITHYSHKZSRH-UHFFFAOYSA-N
XLogP3.22
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.18
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-bromo-3-pyridinyl)oxy]thieno[2,3-d]pyrimidin-2-amine?
The IUPAC name of 4-[(5-bromo-3-pyridinyl)oxy]thieno[2,3-d]pyrimidin-2-amine (CID 103332787) is 4-[(5-bromo-3-pyridinyl)oxy]thieno[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 4-[(5-bromo-3-pyridinyl)oxy]thieno[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 4-[(5-bromo-3-pyridinyl)oxy]thieno[2,3-d]pyrimidin-2-amine is Nc1nc(Oc2cncc(Br)c2)c2ccsc2n1.
What is the InChIKey of 4-[(5-bromo-3-pyridinyl)oxy]thieno[2,3-d]pyrimidin-2-amine?
The InChIKey is CLBITHYSHKZSRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrN4OS/c12-6-3-7(5-14-4-6)17-9-8-1-2-18-10(8)16-11(13)15-9/h1-5H,(H2,13,15,16).
What are the key properties of 4-[(5-bromo-3-pyridinyl)oxy]thieno[2,3-d]pyrimidin-2-amine?
4-[(5-bromo-3-pyridinyl)oxy]thieno[2,3-d]pyrimidin-2-amine has a molecular weight of 323.18 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-bromo-3-pyridinyl)oxy]thieno[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 103332787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).