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

C13H11IN4OS — CID 62244527

IUPAC[2-[(3-iodophenoxy)methyl]thieno[2,3-d]pyrimidin-4-yl]hydrazine
SMILESNNc1nc(COc2cccc(I)c2)nc2sccc12
InChIInChI=1S/C13H11IN4OS/c14-8-2-1-3-9(6-8)19-7-11-16-12(18-15)10-4-5-20-13(10)17-11/h1-6H,7,15H2,(H,16,17,18)
InChIKeySDZZSBSUORKPQM-UHFFFAOYSA-N
MW398.23 g/mol
LogP3.16
Rot. Bonds4

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

[2-[(3-iodophenoxy)methyl]thieno[2,3-d]pyrimidin-4-yl]hydrazine (PubChem CID 62244527) has the molecular formula C13H11IN4OS and a molecular weight of 398.23 g/mol. Its IUPAC name is [2-[(3-iodophenoxy)methyl]thieno[2,3-d]pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-[(3-iodophenoxy)methyl]thieno[2,3-d]pyrimidin-4-yl]hydrazine
PubChem CID62244527
Molecular FormulaC13H11IN4OS
Molecular Weight398.23 g/mol
Exact Mass397.97
IUPAC Name[2-[(3-iodophenoxy)methyl]thieno[2,3-d]pyrimidin-4-yl]hydrazine
SMILESNNc1nc(COc2cccc(I)c2)nc2sccc12
InChIInChI=1S/C13H11IN4OS/c14-8-2-1-3-9(6-8)19-7-11-16-12(18-15)10-4-5-20-13(10)17-11/h1-6H,7,15H2,(H,16,17,18)
InChIKeySDZZSBSUORKPQM-UHFFFAOYSA-N
XLogP3.16
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.23
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [2-[(3-iodophenoxy)methyl]thieno[2,3-d]pyrimidin-4-yl]hydrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-[(3,4-dichlorophenoxy)methyl]thieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 62246555
4-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methoxy]benzonitrile
CID 62246202
[2-[(4-bromo-2-methylphenoxy)methyl]thieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 63216895
[2-(2-ethylbutoxymethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 114208585
[2-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 62502703
[2-(4,4,4-trifluorobutoxymethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 82791579
[2-(2-butoxyethoxymethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 62244700
[2-(1,1,1-trifluoropropan-2-yloxymethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 66274655
[2-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 62250650
2-[(3-chloro-4-fluorophenoxy)methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 63879527
[2-[3-(2-methoxyethoxy)propoxymethyl]thieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 103405541
N-methyl-2-[(4-methylsulfanylphenoxy)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 63649558

Frequently Asked Questions

What is the IUPAC name of [2-[(3-iodophenoxy)methyl]thieno[2,3-d]pyrimidin-4-yl]hydrazine?
The IUPAC name of [2-[(3-iodophenoxy)methyl]thieno[2,3-d]pyrimidin-4-yl]hydrazine (CID 62244527) is [2-[(3-iodophenoxy)methyl]thieno[2,3-d]pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-[(3-iodophenoxy)methyl]thieno[2,3-d]pyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-[(3-iodophenoxy)methyl]thieno[2,3-d]pyrimidin-4-yl]hydrazine is NNc1nc(COc2cccc(I)c2)nc2sccc12.
What is the InChIKey of [2-[(3-iodophenoxy)methyl]thieno[2,3-d]pyrimidin-4-yl]hydrazine?
The InChIKey is SDZZSBSUORKPQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11IN4OS/c14-8-2-1-3-9(6-8)19-7-11-16-12(18-15)10-4-5-20-13(10)17-11/h1-6H,7,15H2,(H,16,17,18).
What are the key properties of [2-[(3-iodophenoxy)methyl]thieno[2,3-d]pyrimidin-4-yl]hydrazine?
[2-[(3-iodophenoxy)methyl]thieno[2,3-d]pyrimidin-4-yl]hydrazine has a molecular weight of 398.23 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-iodophenoxy)methyl]thieno[2,3-d]pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 62244527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).