(6-iodo-7-methylthieno[3,2-d]pyrimidin-4-yl)-(pyridin-2-ylmethyl)diazene

C13H10IN5S — CID 91472470

IUPAC(6-iodo-7-methylthieno[3,2-d]pyrimidin-4-yl)-(pyridin-2-ylmethyl)diazene
SMILESCc1c(I)sc2c(/N=N/Cc3ccccn3)ncnc12
InChIInChI=1S/C13H10IN5S/c1-8-10-11(20-12(8)14)13(17-7-16-10)19-18-6-9-4-2-3-5-15-9/h2-5,7H,6H2,1H3/b19-18+
InChIKeyQJZMECIZIXUBOX-VHEBQXMUSA-N
MW395.23 g/mol
LogP4.28
Rot. Bonds3

About (6-iodo-7-methylthieno[3,2-d]pyrimidin-4-yl)-(pyridin-2-ylmethyl)diazene

(6-iodo-7-methylthieno[3,2-d]pyrimidin-4-yl)-(pyridin-2-ylmethyl)diazene (PubChem CID 91472470) has the molecular formula C13H10IN5S and a molecular weight of 395.23 g/mol. Its IUPAC name is (6-iodo-7-methylthieno[3,2-d]pyrimidin-4-yl)-(pyridin-2-ylmethyl)diazene.

Molecular Properties

Compound Name(6-iodo-7-methylthieno[3,2-d]pyrimidin-4-yl)-(pyridin-2-ylmethyl)diazene
PubChem CID91472470
Molecular FormulaC13H10IN5S
Molecular Weight395.23 g/mol
Exact Mass394.97
IUPAC Name(6-iodo-7-methylthieno[3,2-d]pyrimidin-4-yl)-(pyridin-2-ylmethyl)diazene
SMILESCc1c(I)sc2c(/N=N/Cc3ccccn3)ncnc12
InChIInChI=1S/C13H10IN5S/c1-8-10-11(20-12(8)14)13(17-7-16-10)19-18-6-9-4-2-3-5-15-9/h2-5,7H,6H2,1H3/b19-18+
InChIKeyQJZMECIZIXUBOX-VHEBQXMUSA-N
XLogP4.28
TPSA63.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.23
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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'}

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Related Compounds

phenyl(pyridin-2-ylmethyl)diazene
CID 54008576
(4-methylsulfonylphenyl)-(pyridin-2-ylmethyl)diazene
CID 91363696
6-methyl-3-(pyridin-2-ylmethyldiazenyl)-4H-1,2,4-triazin-5-one
CID 136634911
(7-ethylthieno[3,2-d]pyrimidin-4-yl)-(pyridin-3-ylmethyl)diazene
CID 90924504
2-ethylpyridine;sulfane
CID 67363352
ethane;2-ethylpyridine
CID 91102000
2-iodo-4-(pyridin-2-ylmethyl)-1,3,5-triazine
CID 134267009
acetylene;2-ethylpyridine
CID 145358493
ethane;2-ethylpyridine;methane
CID 142439308
2-ethylpyridine;2-methylpyridine
CID 19020939
2-methyl-3-(pyridin-2-ylmethylimino)butane-2-thiol
CID 101136521
(2-morpholin-4-ylphenyl)-(pyridin-2-ylmethyl)diazene
CID 91611614

Frequently Asked Questions

What is the IUPAC name of (6-iodo-7-methylthieno[3,2-d]pyrimidin-4-yl)-(pyridin-2-ylmethyl)diazene?
The IUPAC name of (6-iodo-7-methylthieno[3,2-d]pyrimidin-4-yl)-(pyridin-2-ylmethyl)diazene (CID 91472470) is (6-iodo-7-methylthieno[3,2-d]pyrimidin-4-yl)-(pyridin-2-ylmethyl)diazene.
What is the SMILES notation for (6-iodo-7-methylthieno[3,2-d]pyrimidin-4-yl)-(pyridin-2-ylmethyl)diazene?
The canonical SMILES for (6-iodo-7-methylthieno[3,2-d]pyrimidin-4-yl)-(pyridin-2-ylmethyl)diazene is Cc1c(I)sc2c(/N=N/Cc3ccccn3)ncnc12.
What is the InChIKey of (6-iodo-7-methylthieno[3,2-d]pyrimidin-4-yl)-(pyridin-2-ylmethyl)diazene?
The InChIKey is QJZMECIZIXUBOX-VHEBQXMUSA-N. The full InChI is InChI=1S/C13H10IN5S/c1-8-10-11(20-12(8)14)13(17-7-16-10)19-18-6-9-4-2-3-5-15-9/h2-5,7H,6H2,1H3/b19-18+.
What are the key properties of (6-iodo-7-methylthieno[3,2-d]pyrimidin-4-yl)-(pyridin-2-ylmethyl)diazene?
(6-iodo-7-methylthieno[3,2-d]pyrimidin-4-yl)-(pyridin-2-ylmethyl)diazene has a molecular weight of 395.23 g/mol, XLogP of 4.28, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6-iodo-7-methylthieno[3,2-d]pyrimidin-4-yl)-(pyridin-2-ylmethyl)diazene is sourced from PubChem (CID 91472470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).