1-hexyl-5-iodopyrimidine-2,4-dione

C10H15IN2O2 — CID 79785543

IUPAC1-hexyl-5-iodopyrimidine-2,4-dione
SMILESCCCCCCn1cc(I)c(=O)[nH]c1=O
InChIInChI=1S/C10H15IN2O2/c1-2-3-4-5-6-13-7-8(11)9(14)12-10(13)15/h7H,2-6H2,1H3,(H,12,14,15)
InChIKeyKKYXJMQLVRUHHJ-UHFFFAOYSA-N
MW322.15 g/mol
LogP1.72
Rot. Bonds5

About 1-hexyl-5-iodopyrimidine-2,4-dione

1-hexyl-5-iodopyrimidine-2,4-dione (PubChem CID 79785543) has the molecular formula C10H15IN2O2 and a molecular weight of 322.15 g/mol. Its IUPAC name is 1-hexyl-5-iodopyrimidine-2,4-dione.

Molecular Properties

Compound Name1-hexyl-5-iodopyrimidine-2,4-dione
PubChem CID79785543
Molecular FormulaC10H15IN2O2
Molecular Weight322.15 g/mol
Exact Mass322.02
IUPAC Name1-hexyl-5-iodopyrimidine-2,4-dione
SMILESCCCCCCn1cc(I)c(=O)[nH]c1=O
InChIInChI=1S/C10H15IN2O2/c1-2-3-4-5-6-13-7-8(11)9(14)12-10(13)15/h7H,2-6H2,1H3,(H,12,14,15)
InChIKeyKKYXJMQLVRUHHJ-UHFFFAOYSA-N
XLogP1.72
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.15
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-hexyl-5-iodopyrimidine-2,4-dione?
The IUPAC name of 1-hexyl-5-iodopyrimidine-2,4-dione (CID 79785543) is 1-hexyl-5-iodopyrimidine-2,4-dione.
What is the SMILES notation for 1-hexyl-5-iodopyrimidine-2,4-dione?
The canonical SMILES for 1-hexyl-5-iodopyrimidine-2,4-dione is CCCCCCn1cc(I)c(=O)[nH]c1=O.
What is the InChIKey of 1-hexyl-5-iodopyrimidine-2,4-dione?
The InChIKey is KKYXJMQLVRUHHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15IN2O2/c1-2-3-4-5-6-13-7-8(11)9(14)12-10(13)15/h7H,2-6H2,1H3,(H,12,14,15).
What are the key properties of 1-hexyl-5-iodopyrimidine-2,4-dione?
1-hexyl-5-iodopyrimidine-2,4-dione has a molecular weight of 322.15 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexyl-5-iodopyrimidine-2,4-dione is sourced from PubChem (CID 79785543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).