5-[[(6-iodothieno[3,2-d]pyrimidin-4-yl)diazenyl]methyl]-2-methoxyphenol

C14H11IN4O2S — CID 90710184

IUPAC5-[[(6-iodothieno[3,2-d]pyrimidin-4-yl)diazenyl]methyl]-2-methoxyphenol
SMILESCOc1ccc(C/N=N/c2ncnc3cc(I)sc23)cc1O
InChIInChI=1S/C14H11IN4O2S/c1-21-11-3-2-8(4-10(11)20)6-18-19-14-13-9(16-7-17-14)5-12(15)22-13/h2-5,7,20H,6H2,1H3/b19-18+
InChIKeyLNVHFNMJTYXHMV-VHEBQXMUSA-N
MW426.24 g/mol
LogP4.29
Rot. Bonds4

About 5-[[(6-iodothieno[3,2-d]pyrimidin-4-yl)diazenyl]methyl]-2-methoxyphenol

5-[[(6-iodothieno[3,2-d]pyrimidin-4-yl)diazenyl]methyl]-2-methoxyphenol (PubChem CID 90710184) has the molecular formula C14H11IN4O2S and a molecular weight of 426.24 g/mol. Its IUPAC name is 5-[[(6-iodothieno[3,2-d]pyrimidin-4-yl)diazenyl]methyl]-2-methoxyphenol.

Molecular Properties

Compound Name5-[[(6-iodothieno[3,2-d]pyrimidin-4-yl)diazenyl]methyl]-2-methoxyphenol
PubChem CID90710184
Molecular FormulaC14H11IN4O2S
Molecular Weight426.24 g/mol
Exact Mass425.96
IUPAC Name5-[[(6-iodothieno[3,2-d]pyrimidin-4-yl)diazenyl]methyl]-2-methoxyphenol
SMILESCOc1ccc(C/N=N/c2ncnc3cc(I)sc23)cc1O
InChIInChI=1S/C14H11IN4O2S/c1-21-11-3-2-8(4-10(11)20)6-18-19-14-13-9(16-7-17-14)5-12(15)22-13/h2-5,7,20H,6H2,1H3/b19-18+
InChIKeyLNVHFNMJTYXHMV-VHEBQXMUSA-N
XLogP4.29
TPSA79.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.24
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 5-[[(6-iodothieno[3,2-d]pyrimidin-4-yl)diazenyl]methyl]-2-methoxyphenol 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

5-[[[6-(4-aminophenyl)-7-methylthieno[3,2-d]pyrimidin-4-yl]diazenyl]methyl]-2-methoxyphenol
CID 91417576
6-(2-ethoxy-4-fluorophenyl)-4-[(3-hydroxy-4-methoxyphenyl)methyldiazenyl]thieno[3,2-d]pyrimidin-7-ol
CID 91452811
2-methoxy-5-[[[7-methyl-6-(2-prop-2-enoxyphenyl)thieno[3,2-d]pyrimidin-4-yl]diazenyl]methyl]phenol
CID 91489453
5-[[[6-(2-ethoxy-4-fluorophenyl)-7-methylthieno[3,2-d]pyrimidin-4-yl]diazenyl]methyl]-2-methoxyphenol
CID 91300419
2-methoxy-4-[[(7-methylthieno[3,2-d]pyrimidin-4-yl)diazenyl]methyl]phenol
CID 90967645
6-(2-ethoxyphenyl)-4-[(4-hydroxy-3-methoxyphenyl)methyldiazenyl]thieno[3,2-d]pyrimidine-7-carbonitrile
CID 91503262
(4-fluorophenyl)methyl-(6-phenylthieno[3,2-d]pyrimidin-4-yl)diazene
CID 91443491
2-methoxy-4-[[(1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)diazenyl]methyl]phenol
CID 91895677
6-(2-ethoxyphenyl)-4-[(3-hydroxy-4,5-dimethoxyphenyl)methyldiazenyl]thieno[3,2-d]pyrimidine-7-carbonitrile
CID 90880383
5-[[[6-(2-ethoxyphenyl)-7-methoxythieno[3,2-d]pyrimidin-2-yl]diazenyl]methyl]-2-methoxyphenol
CID 90940228
2-methoxy-5-[2-(5,6,7-trimethoxy-1,3-benzothiazol-2-yl)ethyl]phenol
CID 162679628
5-[4-(3-hydroxy-4-methoxyphenyl)butyl]-2-methoxyphenol
CID 57066187

Frequently Asked Questions

What is the IUPAC name of 5-[[(6-iodothieno[3,2-d]pyrimidin-4-yl)diazenyl]methyl]-2-methoxyphenol?
The IUPAC name of 5-[[(6-iodothieno[3,2-d]pyrimidin-4-yl)diazenyl]methyl]-2-methoxyphenol (CID 90710184) is 5-[[(6-iodothieno[3,2-d]pyrimidin-4-yl)diazenyl]methyl]-2-methoxyphenol.
What is the SMILES notation for 5-[[(6-iodothieno[3,2-d]pyrimidin-4-yl)diazenyl]methyl]-2-methoxyphenol?
The canonical SMILES for 5-[[(6-iodothieno[3,2-d]pyrimidin-4-yl)diazenyl]methyl]-2-methoxyphenol is COc1ccc(C/N=N/c2ncnc3cc(I)sc23)cc1O.
What is the InChIKey of 5-[[(6-iodothieno[3,2-d]pyrimidin-4-yl)diazenyl]methyl]-2-methoxyphenol?
The InChIKey is LNVHFNMJTYXHMV-VHEBQXMUSA-N. The full InChI is InChI=1S/C14H11IN4O2S/c1-21-11-3-2-8(4-10(11)20)6-18-19-14-13-9(16-7-17-14)5-12(15)22-13/h2-5,7,20H,6H2,1H3/b19-18+.
What are the key properties of 5-[[(6-iodothieno[3,2-d]pyrimidin-4-yl)diazenyl]methyl]-2-methoxyphenol?
5-[[(6-iodothieno[3,2-d]pyrimidin-4-yl)diazenyl]methyl]-2-methoxyphenol has a molecular weight of 426.24 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(6-iodothieno[3,2-d]pyrimidin-4-yl)diazenyl]methyl]-2-methoxyphenol is sourced from PubChem (CID 90710184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).