4-chloro-5-iodo-2,6-dimethylpyrimidine

C6H6ClIN2 — CID 1491117

IUPAC4-chloro-5-iodo-2,6-dimethylpyrimidine
SMILESCc1nc(C)c(I)c(Cl)n1
InChIInChI=1S/C6H6ClIN2/c1-3-5(8)6(7)10-4(2)9-3/h1-2H3
InChIKeyUNEBOKDKZGLMCP-UHFFFAOYSA-N
MW268.49 g/mol
LogP2.35
Rot. Bonds

About 4-chloro-5-iodo-2,6-dimethylpyrimidine

4-chloro-5-iodo-2,6-dimethylpyrimidine (PubChem CID 1491117) has the molecular formula C6H6ClIN2 and a molecular weight of 268.49 g/mol. Its IUPAC name is 4-chloro-5-iodo-2,6-dimethylpyrimidine.

Molecular Properties

Compound Name4-chloro-5-iodo-2,6-dimethylpyrimidine
PubChem CID1491117
Molecular FormulaC6H6ClIN2
Molecular Weight268.49 g/mol
Exact Mass267.93
IUPAC Name4-chloro-5-iodo-2,6-dimethylpyrimidine
SMILESCc1nc(C)c(I)c(Cl)n1
InChIInChI=1S/C6H6ClIN2/c1-3-5(8)6(7)10-4(2)9-3/h1-2H3
InChIKeyUNEBOKDKZGLMCP-UHFFFAOYSA-N
XLogP2.35
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.49
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-5-iodo-2,6-dimethylpyrimidine?
The IUPAC name of 4-chloro-5-iodo-2,6-dimethylpyrimidine (CID 1491117) is 4-chloro-5-iodo-2,6-dimethylpyrimidine.
What is the SMILES notation for 4-chloro-5-iodo-2,6-dimethylpyrimidine?
The canonical SMILES for 4-chloro-5-iodo-2,6-dimethylpyrimidine is Cc1nc(C)c(I)c(Cl)n1.
What is the InChIKey of 4-chloro-5-iodo-2,6-dimethylpyrimidine?
The InChIKey is UNEBOKDKZGLMCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClIN2/c1-3-5(8)6(7)10-4(2)9-3/h1-2H3.
What are the key properties of 4-chloro-5-iodo-2,6-dimethylpyrimidine?
4-chloro-5-iodo-2,6-dimethylpyrimidine has a molecular weight of 268.49 g/mol, XLogP of 2.35, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-iodo-2,6-dimethylpyrimidine is sourced from PubChem (CID 1491117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).