5-iodothieno[2,3-d]pyrimidin-4-amine

C6H4IN3S — CID 90178606

IUPAC5-iodothieno[2,3-d]pyrimidin-4-amine
SMILESNc1ncnc2scc(I)c12
InChIInChI=1S/C6H4IN3S/c7-3-1-11-6-4(3)5(8)9-2-10-6/h1-2H,(H2,8,9,10)
InChIKeyNMNCJCAESWBWIY-UHFFFAOYSA-N
MW277.09 g/mol
LogP1.88
Rot. Bonds

About 5-iodothieno[2,3-d]pyrimidin-4-amine

5-iodothieno[2,3-d]pyrimidin-4-amine (PubChem CID 90178606) has the molecular formula C6H4IN3S and a molecular weight of 277.09 g/mol. Its IUPAC name is 5-iodothieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-iodothieno[2,3-d]pyrimidin-4-amine
PubChem CID90178606
Molecular FormulaC6H4IN3S
Molecular Weight277.09 g/mol
Exact Mass276.92
IUPAC Name5-iodothieno[2,3-d]pyrimidin-4-amine
SMILESNc1ncnc2scc(I)c12
InChIInChI=1S/C6H4IN3S/c7-3-1-11-6-4(3)5(8)9-2-10-6/h1-2H,(H2,8,9,10)
InChIKeyNMNCJCAESWBWIY-UHFFFAOYSA-N
XLogP1.88
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.09
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-iodothieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5-iodothieno[2,3-d]pyrimidin-4-amine (CID 90178606) is 5-iodothieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-iodothieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-iodothieno[2,3-d]pyrimidin-4-amine is Nc1ncnc2scc(I)c12.
What is the InChIKey of 5-iodothieno[2,3-d]pyrimidin-4-amine?
The InChIKey is NMNCJCAESWBWIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4IN3S/c7-3-1-11-6-4(3)5(8)9-2-10-6/h1-2H,(H2,8,9,10).
What are the key properties of 5-iodothieno[2,3-d]pyrimidin-4-amine?
5-iodothieno[2,3-d]pyrimidin-4-amine has a molecular weight of 277.09 g/mol, XLogP of 1.88, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodothieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 90178606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).