4-iodo-5-phenylthieno[2,3-d]pyrimidine

C12H7IN2S — CID 147258357

IUPAC4-iodo-5-phenylthieno[2,3-d]pyrimidine
SMILESIc1ncnc2scc(-c3ccccc3)c12
InChIInChI=1S/C12H7IN2S/c13-11-10-9(8-4-2-1-3-5-8)6-16-12(10)15-7-14-11/h1-7H
InChIKeyCOBPEKWUBRPIGI-UHFFFAOYSA-N
MW338.17 g/mol
LogP3.96
Rot. Bonds1

About 4-iodo-5-phenylthieno[2,3-d]pyrimidine

4-iodo-5-phenylthieno[2,3-d]pyrimidine (PubChem CID 147258357) has the molecular formula C12H7IN2S and a molecular weight of 338.17 g/mol. Its IUPAC name is 4-iodo-5-phenylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-iodo-5-phenylthieno[2,3-d]pyrimidine
PubChem CID147258357
Molecular FormulaC12H7IN2S
Molecular Weight338.17 g/mol
Exact Mass337.94
IUPAC Name4-iodo-5-phenylthieno[2,3-d]pyrimidine
SMILESIc1ncnc2scc(-c3ccccc3)c12
InChIInChI=1S/C12H7IN2S/c13-11-10-9(8-4-2-1-3-5-8)6-16-12(10)15-7-14-11/h1-7H
InChIKeyCOBPEKWUBRPIGI-UHFFFAOYSA-N
XLogP3.96
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.17
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-5-phenylthieno[2,3-d]pyrimidine
CID 118145924
4-chloro-5-phenylthieno[2,3-d]pyrimidine;ethane
CID 144926094
5-phenyl-4-piperazin-4-ium-1-ylthieno[2,3-d]pyrimidine
CID 6922306
4-(azepan-1-yl)-5-phenylthieno[2,3-d]pyrimidine
CID 758218
4-[(2-methylphenyl)methylsulfanyl]-5-phenylthieno[2,3-d]pyrimidine
CID 7674181
5-phenyl-N-prop-2-enylthieno[2,3-d]pyrimidin-4-amine
CID 3151763
2-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid
CID 4076019
4-chloro-5-phenylthieno[2,3-d]pyrimidine;5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 161450976
4-(4-methylpiperidin-1-yl)-5-phenylthieno[2,3-d]pyrimidine
CID 675438
5-phenyl-N-(2,4,6-trichlorophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 110659879
5-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]pentan-1-ol
CID 28849745
4-(5-phenylthieno[2,3-d]pyrimidin-4-yl)oxybenzaldehyde
CID 4737873

Frequently Asked Questions

What is the IUPAC name of 4-iodo-5-phenylthieno[2,3-d]pyrimidine?
The IUPAC name of 4-iodo-5-phenylthieno[2,3-d]pyrimidine (CID 147258357) is 4-iodo-5-phenylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-iodo-5-phenylthieno[2,3-d]pyrimidine?
The canonical SMILES for 4-iodo-5-phenylthieno[2,3-d]pyrimidine is Ic1ncnc2scc(-c3ccccc3)c12.
What is the InChIKey of 4-iodo-5-phenylthieno[2,3-d]pyrimidine?
The InChIKey is COBPEKWUBRPIGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7IN2S/c13-11-10-9(8-4-2-1-3-5-8)6-16-12(10)15-7-14-11/h1-7H.
What are the key properties of 4-iodo-5-phenylthieno[2,3-d]pyrimidine?
4-iodo-5-phenylthieno[2,3-d]pyrimidine has a molecular weight of 338.17 g/mol, XLogP of 3.96, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-5-phenylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 147258357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).