4-chloro-6-iodothieno[2,3-d]pyrimidine

C6H2ClIN2S — CID 44521627

IUPAC4-chloro-6-iodothieno[2,3-d]pyrimidine
SMILESClc1ncnc2sc(I)cc12
InChIInChI=1S/C6H2ClIN2S/c7-5-3-1-4(8)11-6(3)10-2-9-5/h1-2H
InChIKeyCIDKBLUFACXVRN-UHFFFAOYSA-N
MW296.52 g/mol
LogP2.95
Rot. Bonds

About 4-chloro-6-iodothieno[2,3-d]pyrimidine

4-chloro-6-iodothieno[2,3-d]pyrimidine (PubChem CID 44521627) has the molecular formula C6H2ClIN2S and a molecular weight of 296.52 g/mol. Its IUPAC name is 4-chloro-6-iodothieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-6-iodothieno[2,3-d]pyrimidine
PubChem CID44521627
Molecular FormulaC6H2ClIN2S
Molecular Weight296.52 g/mol
Exact Mass295.87
IUPAC Name4-chloro-6-iodothieno[2,3-d]pyrimidine
SMILESClc1ncnc2sc(I)cc12
InChIInChI=1S/C6H2ClIN2S/c7-5-3-1-4(8)11-6(3)10-2-9-5/h1-2H
InChIKeyCIDKBLUFACXVRN-UHFFFAOYSA-N
XLogP2.95
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.52
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-iodothieno[2,3-d]pyrimidine?
The IUPAC name of 4-chloro-6-iodothieno[2,3-d]pyrimidine (CID 44521627) is 4-chloro-6-iodothieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-chloro-6-iodothieno[2,3-d]pyrimidine?
The canonical SMILES for 4-chloro-6-iodothieno[2,3-d]pyrimidine is Clc1ncnc2sc(I)cc12.
What is the InChIKey of 4-chloro-6-iodothieno[2,3-d]pyrimidine?
The InChIKey is CIDKBLUFACXVRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2ClIN2S/c7-5-3-1-4(8)11-6(3)10-2-9-5/h1-2H.
What are the key properties of 4-chloro-6-iodothieno[2,3-d]pyrimidine?
4-chloro-6-iodothieno[2,3-d]pyrimidine has a molecular weight of 296.52 g/mol, XLogP of 2.95, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-iodothieno[2,3-d]pyrimidine is sourced from PubChem (CID 44521627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).