4-butyl-5-iodopyrimidine

C8H11IN2 — CID 166871786

IUPAC4-butyl-5-iodopyrimidine
SMILESCCCCc1ncncc1I
InChIInChI=1S/C8H11IN2/c1-2-3-4-8-7(9)5-10-6-11-8/h5-6H,2-4H2,1H3
InChIKeyRYUGERMVLJJCPI-UHFFFAOYSA-N
MW262.09 g/mol
LogP2.42
Rot. Bonds3

About 4-butyl-5-iodopyrimidine

4-butyl-5-iodopyrimidine (PubChem CID 166871786) has the molecular formula C8H11IN2 and a molecular weight of 262.09 g/mol. Its IUPAC name is 4-butyl-5-iodopyrimidine.

Molecular Properties

Compound Name4-butyl-5-iodopyrimidine
PubChem CID166871786
Molecular FormulaC8H11IN2
Molecular Weight262.09 g/mol
Exact Mass262.00
IUPAC Name4-butyl-5-iodopyrimidine
SMILESCCCCc1ncncc1I
InChIInChI=1S/C8H11IN2/c1-2-3-4-8-7(9)5-10-6-11-8/h5-6H,2-4H2,1H3
InChIKeyRYUGERMVLJJCPI-UHFFFAOYSA-N
XLogP2.42
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.09
LogP ≤ 52.42
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 4-butyl-5-iodopyrimidine?
The IUPAC name of 4-butyl-5-iodopyrimidine (CID 166871786) is 4-butyl-5-iodopyrimidine.
What is the SMILES notation for 4-butyl-5-iodopyrimidine?
The canonical SMILES for 4-butyl-5-iodopyrimidine is CCCCc1ncncc1I.
What is the InChIKey of 4-butyl-5-iodopyrimidine?
The InChIKey is RYUGERMVLJJCPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11IN2/c1-2-3-4-8-7(9)5-10-6-11-8/h5-6H,2-4H2,1H3.
What are the key properties of 4-butyl-5-iodopyrimidine?
4-butyl-5-iodopyrimidine has a molecular weight of 262.09 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-5-iodopyrimidine is sourced from PubChem (CID 166871786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).