[4-(4-bromo-3,5-dimethylphenoxy)thieno[2,3-d]pyrimidin-2-yl]hydrazine

C14H13BrN4OS — CID 107727417

IUPAC[4-(4-bromo-3,5-dimethylphenoxy)thieno[2,3-d]pyrimidin-2-yl]hydrazine
SMILESCc1cc(Oc2nc(NN)nc3sccc23)cc(C)c1Br
InChIInChI=1S/C14H13BrN4OS/c1-7-5-9(6-8(2)11(7)15)20-12-10-3-4-21-13(10)18-14(17-12)19-16/h3-6H,16H2,1-2H3,(H,17,18,19)
InChIKeyTUCHHYQGXOLQCZ-UHFFFAOYSA-N
MW365.26 g/mol
LogP4.15
Rot. Bonds3

About [4-(4-bromo-3,5-dimethylphenoxy)thieno[2,3-d]pyrimidin-2-yl]hydrazine

[4-(4-bromo-3,5-dimethylphenoxy)thieno[2,3-d]pyrimidin-2-yl]hydrazine (PubChem CID 107727417) has the molecular formula C14H13BrN4OS and a molecular weight of 365.26 g/mol. Its IUPAC name is [4-(4-bromo-3,5-dimethylphenoxy)thieno[2,3-d]pyrimidin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-(4-bromo-3,5-dimethylphenoxy)thieno[2,3-d]pyrimidin-2-yl]hydrazine
PubChem CID107727417
Molecular FormulaC14H13BrN4OS
Molecular Weight365.26 g/mol
Exact Mass364.00
IUPAC Name[4-(4-bromo-3,5-dimethylphenoxy)thieno[2,3-d]pyrimidin-2-yl]hydrazine
SMILESCc1cc(Oc2nc(NN)nc3sccc23)cc(C)c1Br
InChIInChI=1S/C14H13BrN4OS/c1-7-5-9(6-8(2)11(7)15)20-12-10-3-4-21-13(10)18-14(17-12)19-16/h3-6H,16H2,1-2H3,(H,17,18,19)
InChIKeyTUCHHYQGXOLQCZ-UHFFFAOYSA-N
XLogP4.15
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.26
LogP ≤ 54.15
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-(4-methylphenoxy)thieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103336141
[4-(3-bromophenoxy)thieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103336191
[4-(2-fluoro-5-methylphenoxy)thieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103336348
[4-(3-propan-2-ylphenoxy)thieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103336156
[5-bromo-4-(4-bromo-3,5-dimethylphenoxy)pyrimidin-2-yl]hydrazine
CID 107727403
3-(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)oxybenzonitrile
CID 103336137
[4-[(2-methylpropan-2-yl)oxy]thieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103336022
4-(4-bromo-3-methylphenoxy)thieno[2,3-d]pyrimidin-2-amine
CID 103333341
[4-(3-methylbutan-2-yloxy)thieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103336370
[4-(2-propan-2-ylphenoxy)thieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103336205
[4-(4-bromo-3,5-dimethylphenoxy)-6-methylpyrimidin-2-yl]hydrazine
CID 107727424
[4-(2-methoxyethoxy)thieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103336076

Frequently Asked Questions

What is the IUPAC name of [4-(4-bromo-3,5-dimethylphenoxy)thieno[2,3-d]pyrimidin-2-yl]hydrazine?
The IUPAC name of [4-(4-bromo-3,5-dimethylphenoxy)thieno[2,3-d]pyrimidin-2-yl]hydrazine (CID 107727417) is [4-(4-bromo-3,5-dimethylphenoxy)thieno[2,3-d]pyrimidin-2-yl]hydrazine.
What is the SMILES notation for [4-(4-bromo-3,5-dimethylphenoxy)thieno[2,3-d]pyrimidin-2-yl]hydrazine?
The canonical SMILES for [4-(4-bromo-3,5-dimethylphenoxy)thieno[2,3-d]pyrimidin-2-yl]hydrazine is Cc1cc(Oc2nc(NN)nc3sccc23)cc(C)c1Br.
What is the InChIKey of [4-(4-bromo-3,5-dimethylphenoxy)thieno[2,3-d]pyrimidin-2-yl]hydrazine?
The InChIKey is TUCHHYQGXOLQCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN4OS/c1-7-5-9(6-8(2)11(7)15)20-12-10-3-4-21-13(10)18-14(17-12)19-16/h3-6H,16H2,1-2H3,(H,17,18,19).
What are the key properties of [4-(4-bromo-3,5-dimethylphenoxy)thieno[2,3-d]pyrimidin-2-yl]hydrazine?
[4-(4-bromo-3,5-dimethylphenoxy)thieno[2,3-d]pyrimidin-2-yl]hydrazine has a molecular weight of 365.26 g/mol, XLogP of 4.15, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-bromo-3,5-dimethylphenoxy)thieno[2,3-d]pyrimidin-2-yl]hydrazine is sourced from PubChem (CID 107727417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).