4-(2-bromobutyl)-5-iodopyrimidine

C8H10BrIN2 — CID 66319811

IUPAC4-(2-bromobutyl)-5-iodopyrimidine
SMILESCCC(Br)Cc1ncncc1I
InChIInChI=1S/C8H10BrIN2/c1-2-6(9)3-8-7(10)4-11-5-12-8/h4-6H,2-3H2,1H3
InChIKeyDRHXYAHXLVKHRI-UHFFFAOYSA-N
MW340.99 g/mol
LogP2.80
Rot. Bonds3

About 4-(2-bromobutyl)-5-iodopyrimidine

4-(2-bromobutyl)-5-iodopyrimidine (PubChem CID 66319811) has the molecular formula C8H10BrIN2 and a molecular weight of 340.99 g/mol. Its IUPAC name is 4-(2-bromobutyl)-5-iodopyrimidine.

Molecular Properties

Compound Name4-(2-bromobutyl)-5-iodopyrimidine
PubChem CID66319811
Molecular FormulaC8H10BrIN2
Molecular Weight340.99 g/mol
Exact Mass339.91
IUPAC Name4-(2-bromobutyl)-5-iodopyrimidine
SMILESCCC(Br)Cc1ncncc1I
InChIInChI=1S/C8H10BrIN2/c1-2-6(9)3-8-7(10)4-11-5-12-8/h4-6H,2-3H2,1H3
InChIKeyDRHXYAHXLVKHRI-UHFFFAOYSA-N
XLogP2.80
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.99
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-bromobutyl)-5-iodopyrimidine?
The IUPAC name of 4-(2-bromobutyl)-5-iodopyrimidine (CID 66319811) is 4-(2-bromobutyl)-5-iodopyrimidine.
What is the SMILES notation for 4-(2-bromobutyl)-5-iodopyrimidine?
The canonical SMILES for 4-(2-bromobutyl)-5-iodopyrimidine is CCC(Br)Cc1ncncc1I.
What is the InChIKey of 4-(2-bromobutyl)-5-iodopyrimidine?
The InChIKey is DRHXYAHXLVKHRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrIN2/c1-2-6(9)3-8-7(10)4-11-5-12-8/h4-6H,2-3H2,1H3.
What are the key properties of 4-(2-bromobutyl)-5-iodopyrimidine?
4-(2-bromobutyl)-5-iodopyrimidine has a molecular weight of 340.99 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromobutyl)-5-iodopyrimidine is sourced from PubChem (CID 66319811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).