[4-(3-bromophenoxy)thieno[2,3-d]pyrimidin-2-yl]hydrazine

C12H9BrN4OS — CID 103336191

IUPAC[4-(3-bromophenoxy)thieno[2,3-d]pyrimidin-2-yl]hydrazine
SMILESNNc1nc(Oc2cccc(Br)c2)c2ccsc2n1
InChIInChI=1S/C12H9BrN4OS/c13-7-2-1-3-8(6-7)18-10-9-4-5-19-11(9)16-12(15-10)17-14/h1-6H,14H2,(H,15,16,17)
InChIKeyFGWOQYQNZUVIRJ-UHFFFAOYSA-N
MW337.20 g/mol
LogP3.53
Rot. Bonds3

About [4-(3-bromophenoxy)thieno[2,3-d]pyrimidin-2-yl]hydrazine

[4-(3-bromophenoxy)thieno[2,3-d]pyrimidin-2-yl]hydrazine (PubChem CID 103336191) has the molecular formula C12H9BrN4OS and a molecular weight of 337.20 g/mol. Its IUPAC name is [4-(3-bromophenoxy)thieno[2,3-d]pyrimidin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-(3-bromophenoxy)thieno[2,3-d]pyrimidin-2-yl]hydrazine
PubChem CID103336191
Molecular FormulaC12H9BrN4OS
Molecular Weight337.20 g/mol
Exact Mass335.97
IUPAC Name[4-(3-bromophenoxy)thieno[2,3-d]pyrimidin-2-yl]hydrazine
SMILESNNc1nc(Oc2cccc(Br)c2)c2ccsc2n1
InChIInChI=1S/C12H9BrN4OS/c13-7-2-1-3-8(6-7)18-10-9-4-5-19-11(9)16-12(15-10)17-14/h1-6H,14H2,(H,15,16,17)
InChIKeyFGWOQYQNZUVIRJ-UHFFFAOYSA-N
XLogP3.53
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.20
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[4-(3-propan-2-ylphenoxy)thieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103336156
3-(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)oxybenzonitrile
CID 103336137
[4-(4-bromo-3,5-dimethylphenoxy)thieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 107727417
[4-(4-methylphenoxy)thieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103336141
[4-(2-propan-2-ylphenoxy)thieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103336205
[4-(2-fluoro-5-methylphenoxy)thieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103336348
N-ethyl-4-(3-fluorophenoxy)thieno[2,3-d]pyrimidin-2-amine
CID 103331903
[4-[(2-methylpropan-2-yl)oxy]thieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103336022
[4-(3-methylbutan-2-yloxy)thieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103336370
4-[(5-bromo-3-pyridinyl)oxy]thieno[2,3-d]pyrimidin-2-amine
CID 103332787
4-(3-bromo-4-fluorophenoxy)-N-ethylthieno[2,3-d]pyrimidin-2-amine
CID 103333352
[4-(2-methoxyethoxy)thieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103336076

Frequently Asked Questions

What is the IUPAC name of [4-(3-bromophenoxy)thieno[2,3-d]pyrimidin-2-yl]hydrazine?
The IUPAC name of [4-(3-bromophenoxy)thieno[2,3-d]pyrimidin-2-yl]hydrazine (CID 103336191) is [4-(3-bromophenoxy)thieno[2,3-d]pyrimidin-2-yl]hydrazine.
What is the SMILES notation for [4-(3-bromophenoxy)thieno[2,3-d]pyrimidin-2-yl]hydrazine?
The canonical SMILES for [4-(3-bromophenoxy)thieno[2,3-d]pyrimidin-2-yl]hydrazine is NNc1nc(Oc2cccc(Br)c2)c2ccsc2n1.
What is the InChIKey of [4-(3-bromophenoxy)thieno[2,3-d]pyrimidin-2-yl]hydrazine?
The InChIKey is FGWOQYQNZUVIRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrN4OS/c13-7-2-1-3-8(6-7)18-10-9-4-5-19-11(9)16-12(15-10)17-14/h1-6H,14H2,(H,15,16,17).
What are the key properties of [4-(3-bromophenoxy)thieno[2,3-d]pyrimidin-2-yl]hydrazine?
[4-(3-bromophenoxy)thieno[2,3-d]pyrimidin-2-yl]hydrazine has a molecular weight of 337.20 g/mol, XLogP of 3.53, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-bromophenoxy)thieno[2,3-d]pyrimidin-2-yl]hydrazine is sourced from PubChem (CID 103336191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).