5-iodo-4-(2-methylbutan-2-yloxy)pyrimidine

C9H13IN2O — CID 66319353

IUPAC5-iodo-4-(2-methylbutan-2-yloxy)pyrimidine
SMILESCCC(C)(C)Oc1ncncc1I
InChIInChI=1S/C9H13IN2O/c1-4-9(2,3)13-8-7(10)5-11-6-12-8/h5-6H,4H2,1-3H3
InChIKeyIUOQMTDIFJDFIJ-UHFFFAOYSA-N
MW292.12 g/mol
LogP2.65
Rot. Bonds3

About 5-iodo-4-(2-methylbutan-2-yloxy)pyrimidine

5-iodo-4-(2-methylbutan-2-yloxy)pyrimidine (PubChem CID 66319353) has the molecular formula C9H13IN2O and a molecular weight of 292.12 g/mol. Its IUPAC name is 5-iodo-4-(2-methylbutan-2-yloxy)pyrimidine.

Molecular Properties

Compound Name5-iodo-4-(2-methylbutan-2-yloxy)pyrimidine
PubChem CID66319353
Molecular FormulaC9H13IN2O
Molecular Weight292.12 g/mol
Exact Mass292.01
IUPAC Name5-iodo-4-(2-methylbutan-2-yloxy)pyrimidine
SMILESCCC(C)(C)Oc1ncncc1I
InChIInChI=1S/C9H13IN2O/c1-4-9(2,3)13-8-7(10)5-11-6-12-8/h5-6H,4H2,1-3H3
InChIKeyIUOQMTDIFJDFIJ-UHFFFAOYSA-N
XLogP2.65
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.12
LogP ≤ 52.65
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 5-iodo-4-(2-methylbutan-2-yloxy)pyrimidine?
The IUPAC name of 5-iodo-4-(2-methylbutan-2-yloxy)pyrimidine (CID 66319353) is 5-iodo-4-(2-methylbutan-2-yloxy)pyrimidine.
What is the SMILES notation for 5-iodo-4-(2-methylbutan-2-yloxy)pyrimidine?
The canonical SMILES for 5-iodo-4-(2-methylbutan-2-yloxy)pyrimidine is CCC(C)(C)Oc1ncncc1I.
What is the InChIKey of 5-iodo-4-(2-methylbutan-2-yloxy)pyrimidine?
The InChIKey is IUOQMTDIFJDFIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13IN2O/c1-4-9(2,3)13-8-7(10)5-11-6-12-8/h5-6H,4H2,1-3H3.
What are the key properties of 5-iodo-4-(2-methylbutan-2-yloxy)pyrimidine?
5-iodo-4-(2-methylbutan-2-yloxy)pyrimidine has a molecular weight of 292.12 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-4-(2-methylbutan-2-yloxy)pyrimidine is sourced from PubChem (CID 66319353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).