4-chloro-2-(5-ethylthiophen-2-yl)-5-iodo-6-methylpyrimidine

C11H10ClIN2S — CID 66313212

IUPAC4-chloro-2-(5-ethylthiophen-2-yl)-5-iodo-6-methylpyrimidine
SMILESCCc1ccc(-c2nc(C)c(I)c(Cl)n2)s1
InChIInChI=1S/C11H10ClIN2S/c1-3-7-4-5-8(16-7)11-14-6(2)9(13)10(12)15-11/h4-5H,3H2,1-2H3
InChIKeyWRHZFYAVBYRBRI-UHFFFAOYSA-N
MW364.64 g/mol
LogP4.33
Rot. Bonds2

About 4-chloro-2-(5-ethylthiophen-2-yl)-5-iodo-6-methylpyrimidine

4-chloro-2-(5-ethylthiophen-2-yl)-5-iodo-6-methylpyrimidine (PubChem CID 66313212) has the molecular formula C11H10ClIN2S and a molecular weight of 364.64 g/mol. Its IUPAC name is 4-chloro-2-(5-ethylthiophen-2-yl)-5-iodo-6-methylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-(5-ethylthiophen-2-yl)-5-iodo-6-methylpyrimidine
PubChem CID66313212
Molecular FormulaC11H10ClIN2S
Molecular Weight364.64 g/mol
Exact Mass363.93
IUPAC Name4-chloro-2-(5-ethylthiophen-2-yl)-5-iodo-6-methylpyrimidine
SMILESCCc1ccc(-c2nc(C)c(I)c(Cl)n2)s1
InChIInChI=1S/C11H10ClIN2S/c1-3-7-4-5-8(16-7)11-14-6(2)9(13)10(12)15-11/h4-5H,3H2,1-2H3
InChIKeyWRHZFYAVBYRBRI-UHFFFAOYSA-N
XLogP4.33
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.64
LogP ≤ 54.33
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-2-(5-ethylthiophen-2-yl)-5-iodo-6-methylpyrimidine?
The IUPAC name of 4-chloro-2-(5-ethylthiophen-2-yl)-5-iodo-6-methylpyrimidine (CID 66313212) is 4-chloro-2-(5-ethylthiophen-2-yl)-5-iodo-6-methylpyrimidine.
What is the SMILES notation for 4-chloro-2-(5-ethylthiophen-2-yl)-5-iodo-6-methylpyrimidine?
The canonical SMILES for 4-chloro-2-(5-ethylthiophen-2-yl)-5-iodo-6-methylpyrimidine is CCc1ccc(-c2nc(C)c(I)c(Cl)n2)s1.
What is the InChIKey of 4-chloro-2-(5-ethylthiophen-2-yl)-5-iodo-6-methylpyrimidine?
The InChIKey is WRHZFYAVBYRBRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClIN2S/c1-3-7-4-5-8(16-7)11-14-6(2)9(13)10(12)15-11/h4-5H,3H2,1-2H3.
What are the key properties of 4-chloro-2-(5-ethylthiophen-2-yl)-5-iodo-6-methylpyrimidine?
4-chloro-2-(5-ethylthiophen-2-yl)-5-iodo-6-methylpyrimidine has a molecular weight of 364.64 g/mol, XLogP of 4.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(5-ethylthiophen-2-yl)-5-iodo-6-methylpyrimidine is sourced from PubChem (CID 66313212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).