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

C8H11IN2O2 — CID 13008819

IUPAC1-butyl-5-iodopyrimidine-2,4-dione
SMILESCCCCn1cc(I)c(=O)[nH]c1=O
InChIInChI=1S/C8H11IN2O2/c1-2-3-4-11-5-6(9)7(12)10-8(11)13/h5H,2-4H2,1H3,(H,10,12,13)
InChIKeyYFWNNTUALKLHLL-UHFFFAOYSA-N
MW294.09 g/mol
LogP0.94
Rot. Bonds3

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

1-butyl-5-iodopyrimidine-2,4-dione (PubChem CID 13008819) has the molecular formula C8H11IN2O2 and a molecular weight of 294.09 g/mol. Its IUPAC name is 1-butyl-5-iodopyrimidine-2,4-dione.

Molecular Properties

Compound Name1-butyl-5-iodopyrimidine-2,4-dione
PubChem CID13008819
Molecular FormulaC8H11IN2O2
Molecular Weight294.09 g/mol
Exact Mass293.99
IUPAC Name1-butyl-5-iodopyrimidine-2,4-dione
SMILESCCCCn1cc(I)c(=O)[nH]c1=O
InChIInChI=1S/C8H11IN2O2/c1-2-3-4-11-5-6(9)7(12)10-8(11)13/h5H,2-4H2,1H3,(H,10,12,13)
InChIKeyYFWNNTUALKLHLL-UHFFFAOYSA-N
XLogP0.94
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.09
LogP ≤ 50.94
H-Bond Donors ≤ 51
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 1-butyl-5-iodopyrimidine-2,4-dione?
The IUPAC name of 1-butyl-5-iodopyrimidine-2,4-dione (CID 13008819) is 1-butyl-5-iodopyrimidine-2,4-dione.
What is the SMILES notation for 1-butyl-5-iodopyrimidine-2,4-dione?
The canonical SMILES for 1-butyl-5-iodopyrimidine-2,4-dione is CCCCn1cc(I)c(=O)[nH]c1=O.
What is the InChIKey of 1-butyl-5-iodopyrimidine-2,4-dione?
The InChIKey is YFWNNTUALKLHLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11IN2O2/c1-2-3-4-11-5-6(9)7(12)10-8(11)13/h5H,2-4H2,1H3,(H,10,12,13).
What are the key properties of 1-butyl-5-iodopyrimidine-2,4-dione?
1-butyl-5-iodopyrimidine-2,4-dione has a molecular weight of 294.09 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-5-iodopyrimidine-2,4-dione is sourced from PubChem (CID 13008819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).