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

C6H6ClIN2O2 — CID 14913802

IUPAC4-chloro-5-iodo-2,6-dimethoxypyrimidine
SMILESCOc1nc(Cl)c(I)c(OC)n1
InChIInChI=1S/C6H6ClIN2O2/c1-11-5-3(8)4(7)9-6(10-5)12-2/h1-2H3
InChIKeyXCUWJUCSKOUCEN-UHFFFAOYSA-N
MW300.48 g/mol
LogP1.75
Rot. Bonds2

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

4-chloro-5-iodo-2,6-dimethoxypyrimidine (PubChem CID 14913802) has the molecular formula C6H6ClIN2O2 and a molecular weight of 300.48 g/mol. Its IUPAC name is 4-chloro-5-iodo-2,6-dimethoxypyrimidine.

Molecular Properties

Compound Name4-chloro-5-iodo-2,6-dimethoxypyrimidine
PubChem CID14913802
Molecular FormulaC6H6ClIN2O2
Molecular Weight300.48 g/mol
Exact Mass299.92
IUPAC Name4-chloro-5-iodo-2,6-dimethoxypyrimidine
SMILESCOc1nc(Cl)c(I)c(OC)n1
InChIInChI=1S/C6H6ClIN2O2/c1-11-5-3(8)4(7)9-6(10-5)12-2/h1-2H3
InChIKeyXCUWJUCSKOUCEN-UHFFFAOYSA-N
XLogP1.75
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.48
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-dimethoxypyrimidine?
The IUPAC name of 4-chloro-5-iodo-2,6-dimethoxypyrimidine (CID 14913802) is 4-chloro-5-iodo-2,6-dimethoxypyrimidine.
What is the SMILES notation for 4-chloro-5-iodo-2,6-dimethoxypyrimidine?
The canonical SMILES for 4-chloro-5-iodo-2,6-dimethoxypyrimidine is COc1nc(Cl)c(I)c(OC)n1.
What is the InChIKey of 4-chloro-5-iodo-2,6-dimethoxypyrimidine?
The InChIKey is XCUWJUCSKOUCEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClIN2O2/c1-11-5-3(8)4(7)9-6(10-5)12-2/h1-2H3.
What are the key properties of 4-chloro-5-iodo-2,6-dimethoxypyrimidine?
4-chloro-5-iodo-2,6-dimethoxypyrimidine has a molecular weight of 300.48 g/mol, XLogP of 1.75, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-iodo-2,6-dimethoxypyrimidine is sourced from PubChem (CID 14913802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).