5-iodo-2,4-dimethylpyrimidine

C6H7IN2 — CID 12749080

IUPAC5-iodo-2,4-dimethylpyrimidine
SMILESCc1ncc(I)c(C)n1
InChIInChI=1S/C6H7IN2/c1-4-6(7)3-8-5(2)9-4/h3H,1-2H3
InChIKeyBQANPURTBPZZJX-UHFFFAOYSA-N
MW234.04 g/mol
LogP1.70
Rot. Bonds

About 5-iodo-2,4-dimethylpyrimidine

5-iodo-2,4-dimethylpyrimidine (PubChem CID 12749080) has the molecular formula C6H7IN2 and a molecular weight of 234.04 g/mol. Its IUPAC name is 5-iodo-2,4-dimethylpyrimidine.

Molecular Properties

Compound Name5-iodo-2,4-dimethylpyrimidine
PubChem CID12749080
Molecular FormulaC6H7IN2
Molecular Weight234.04 g/mol
Exact Mass233.97
IUPAC Name5-iodo-2,4-dimethylpyrimidine
SMILESCc1ncc(I)c(C)n1
InChIInChI=1S/C6H7IN2/c1-4-6(7)3-8-5(2)9-4/h3H,1-2H3
InChIKeyBQANPURTBPZZJX-UHFFFAOYSA-N
XLogP1.70
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.04
LogP ≤ 51.70
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 5-iodo-2,4-dimethylpyrimidine?
The IUPAC name of 5-iodo-2,4-dimethylpyrimidine (CID 12749080) is 5-iodo-2,4-dimethylpyrimidine.
What is the SMILES notation for 5-iodo-2,4-dimethylpyrimidine?
The canonical SMILES for 5-iodo-2,4-dimethylpyrimidine is Cc1ncc(I)c(C)n1.
What is the InChIKey of 5-iodo-2,4-dimethylpyrimidine?
The InChIKey is BQANPURTBPZZJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7IN2/c1-4-6(7)3-8-5(2)9-4/h3H,1-2H3.
What are the key properties of 5-iodo-2,4-dimethylpyrimidine?
5-iodo-2,4-dimethylpyrimidine has a molecular weight of 234.04 g/mol, XLogP of 1.70, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-2,4-dimethylpyrimidine is sourced from PubChem (CID 12749080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).