5-iodo-2-(2-methylpropoxy)pyrimidine

C8H11IN2O — CID 116649140

IUPAC5-iodo-2-(2-methylpropoxy)pyrimidine
SMILESCC(C)COc1ncc(I)cn1
InChIInChI=1S/C8H11IN2O/c1-6(2)5-12-8-10-3-7(9)4-11-8/h3-4,6H,5H2,1-2H3
InChIKeyDFCFEJQGDZPPDR-UHFFFAOYSA-N
MW278.09 g/mol
LogP2.12
Rot. Bonds3

About 5-iodo-2-(2-methylpropoxy)pyrimidine

5-iodo-2-(2-methylpropoxy)pyrimidine (PubChem CID 116649140) has the molecular formula C8H11IN2O and a molecular weight of 278.09 g/mol. Its IUPAC name is 5-iodo-2-(2-methylpropoxy)pyrimidine.

Molecular Properties

Compound Name5-iodo-2-(2-methylpropoxy)pyrimidine
PubChem CID116649140
Molecular FormulaC8H11IN2O
Molecular Weight278.09 g/mol
Exact Mass277.99
IUPAC Name5-iodo-2-(2-methylpropoxy)pyrimidine
SMILESCC(C)COc1ncc(I)cn1
InChIInChI=1S/C8H11IN2O/c1-6(2)5-12-8-10-3-7(9)4-11-8/h3-4,6H,5H2,1-2H3
InChIKeyDFCFEJQGDZPPDR-UHFFFAOYSA-N
XLogP2.12
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.09
LogP ≤ 52.12
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-2-(2-methylpropoxy)pyrimidine?
The IUPAC name of 5-iodo-2-(2-methylpropoxy)pyrimidine (CID 116649140) is 5-iodo-2-(2-methylpropoxy)pyrimidine.
What is the SMILES notation for 5-iodo-2-(2-methylpropoxy)pyrimidine?
The canonical SMILES for 5-iodo-2-(2-methylpropoxy)pyrimidine is CC(C)COc1ncc(I)cn1.
What is the InChIKey of 5-iodo-2-(2-methylpropoxy)pyrimidine?
The InChIKey is DFCFEJQGDZPPDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11IN2O/c1-6(2)5-12-8-10-3-7(9)4-11-8/h3-4,6H,5H2,1-2H3.
What are the key properties of 5-iodo-2-(2-methylpropoxy)pyrimidine?
5-iodo-2-(2-methylpropoxy)pyrimidine has a molecular weight of 278.09 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-2-(2-methylpropoxy)pyrimidine is sourced from PubChem (CID 116649140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).