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

C12H7BrFN3OS — CID 103333095

IUPAC4-(3-bromo-5-fluorophenoxy)thieno[2,3-d]pyrimidin-2-amine
SMILESNc1nc(Oc2cc(F)cc(Br)c2)c2ccsc2n1
InChIInChI=1S/C12H7BrFN3OS/c13-6-3-7(14)5-8(4-6)18-10-9-1-2-19-11(9)17-12(15)16-10/h1-5H,(H2,15,16,17)
InChIKeyZMVOQHYXIJFCKN-UHFFFAOYSA-N
MW340.18 g/mol
LogP3.97
Rot. Bonds2

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

4-(3-bromo-5-fluorophenoxy)thieno[2,3-d]pyrimidin-2-amine (PubChem CID 103333095) has the molecular formula C12H7BrFN3OS and a molecular weight of 340.18 g/mol. Its IUPAC name is 4-(3-bromo-5-fluorophenoxy)thieno[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(3-bromo-5-fluorophenoxy)thieno[2,3-d]pyrimidin-2-amine
PubChem CID103333095
Molecular FormulaC12H7BrFN3OS
Molecular Weight340.18 g/mol
Exact Mass338.95
IUPAC Name4-(3-bromo-5-fluorophenoxy)thieno[2,3-d]pyrimidin-2-amine
SMILESNc1nc(Oc2cc(F)cc(Br)c2)c2ccsc2n1
InChIInChI=1S/C12H7BrFN3OS/c13-6-3-7(14)5-8(4-6)18-10-9-1-2-19-11(9)17-12(15)16-10/h1-5H,(H2,15,16,17)
InChIKeyZMVOQHYXIJFCKN-UHFFFAOYSA-N
XLogP3.97
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.18
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-5-fluorophenoxy)thieno[2,3-d]pyrimidin-2-amine?
The IUPAC name of 4-(3-bromo-5-fluorophenoxy)thieno[2,3-d]pyrimidin-2-amine (CID 103333095) is 4-(3-bromo-5-fluorophenoxy)thieno[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 4-(3-bromo-5-fluorophenoxy)thieno[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 4-(3-bromo-5-fluorophenoxy)thieno[2,3-d]pyrimidin-2-amine is Nc1nc(Oc2cc(F)cc(Br)c2)c2ccsc2n1.
What is the InChIKey of 4-(3-bromo-5-fluorophenoxy)thieno[2,3-d]pyrimidin-2-amine?
The InChIKey is ZMVOQHYXIJFCKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrFN3OS/c13-6-3-7(14)5-8(4-6)18-10-9-1-2-19-11(9)17-12(15)16-10/h1-5H,(H2,15,16,17).
What are the key properties of 4-(3-bromo-5-fluorophenoxy)thieno[2,3-d]pyrimidin-2-amine?
4-(3-bromo-5-fluorophenoxy)thieno[2,3-d]pyrimidin-2-amine has a molecular weight of 340.18 g/mol, XLogP of 3.97, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromo-5-fluorophenoxy)thieno[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 103333095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).