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

C9H11IN2O2 — CID 16724016

IUPAC1-cyclopentyl-5-iodopyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(C2CCCC2)cc1I
InChIInChI=1S/C9H11IN2O2/c10-7-5-12(6-3-1-2-4-6)9(14)11-8(7)13/h5-6H,1-4H2,(H,11,13,14)
InChIKeyCGLGBUIJZJQEEF-UHFFFAOYSA-N
MW306.10 g/mol
LogP1.26
Rot. Bonds1

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

1-cyclopentyl-5-iodopyrimidine-2,4-dione (PubChem CID 16724016) has the molecular formula C9H11IN2O2 and a molecular weight of 306.10 g/mol. Its IUPAC name is 1-cyclopentyl-5-iodopyrimidine-2,4-dione.

Molecular Properties

Compound Name1-cyclopentyl-5-iodopyrimidine-2,4-dione
PubChem CID16724016
Molecular FormulaC9H11IN2O2
Molecular Weight306.10 g/mol
Exact Mass305.99
IUPAC Name1-cyclopentyl-5-iodopyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(C2CCCC2)cc1I
InChIInChI=1S/C9H11IN2O2/c10-7-5-12(6-3-1-2-4-6)9(14)11-8(7)13/h5-6H,1-4H2,(H,11,13,14)
InChIKeyCGLGBUIJZJQEEF-UHFFFAOYSA-N
XLogP1.26
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.10
LogP ≤ 51.26
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-cyclopentyl-5-iodopyrimidine-2,4-dione?
The IUPAC name of 1-cyclopentyl-5-iodopyrimidine-2,4-dione (CID 16724016) is 1-cyclopentyl-5-iodopyrimidine-2,4-dione.
What is the SMILES notation for 1-cyclopentyl-5-iodopyrimidine-2,4-dione?
The canonical SMILES for 1-cyclopentyl-5-iodopyrimidine-2,4-dione is O=c1[nH]c(=O)n(C2CCCC2)cc1I.
What is the InChIKey of 1-cyclopentyl-5-iodopyrimidine-2,4-dione?
The InChIKey is CGLGBUIJZJQEEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11IN2O2/c10-7-5-12(6-3-1-2-4-6)9(14)11-8(7)13/h5-6H,1-4H2,(H,11,13,14).
What are the key properties of 1-cyclopentyl-5-iodopyrimidine-2,4-dione?
1-cyclopentyl-5-iodopyrimidine-2,4-dione has a molecular weight of 306.10 g/mol, XLogP of 1.26, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-5-iodopyrimidine-2,4-dione is sourced from PubChem (CID 16724016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).