4-cyclopentyloxy-5-iodo-1H-pyrimidin-6-one

C9H11IN2O2 — CID 114675902

IUPAC4-cyclopentyloxy-5-iodo-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(OC2CCCC2)c1I
InChIInChI=1S/C9H11IN2O2/c10-7-8(13)11-5-12-9(7)14-6-3-1-2-4-6/h5-6H,1-4H2,(H,11,12,13)
InChIKeyGWARYWCHPLVGLW-UHFFFAOYSA-N
MW306.10 g/mol
LogP1.70
Rot. Bonds2

About 4-cyclopentyloxy-5-iodo-1H-pyrimidin-6-one

4-cyclopentyloxy-5-iodo-1H-pyrimidin-6-one (PubChem CID 114675902) has the molecular formula C9H11IN2O2 and a molecular weight of 306.10 g/mol. Its IUPAC name is 4-cyclopentyloxy-5-iodo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-cyclopentyloxy-5-iodo-1H-pyrimidin-6-one
PubChem CID114675902
Molecular FormulaC9H11IN2O2
Molecular Weight306.10 g/mol
Exact Mass305.99
IUPAC Name4-cyclopentyloxy-5-iodo-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(OC2CCCC2)c1I
InChIInChI=1S/C9H11IN2O2/c10-7-8(13)11-5-12-9(7)14-6-3-1-2-4-6/h5-6H,1-4H2,(H,11,12,13)
InChIKeyGWARYWCHPLVGLW-UHFFFAOYSA-N
XLogP1.70
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.10
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-iodo-4-pentan-2-yloxy-1H-pyrimidin-6-one
CID 102983147
5-amino-4-cyclopentyloxy-1H-pyrimidin-6-one
CID 103240522
4-cyclopentyloxy-5-methoxy-1H-pyrimidin-6-one
CID 103240525
4-cyclopentyloxy-1H-pyrimidin-6-one
CID 103240528
5-iodo-4-(2-methylpentoxy)-1H-pyrimidin-6-one
CID 103284599
4-(1-ethoxypropan-2-yloxy)-5-iodo-1H-pyrimidin-6-one
CID 103489529
4-(2-cyclopropylethoxy)-5-iodo-1H-pyrimidin-6-one
CID 106203666
4-(3-aminocyclopentyl)oxy-5-iodo-1H-pyrimidin-6-one
CID 114586570
4-(2-aminocyclopentyl)oxy-5-iodo-1H-pyrimidin-6-one
CID 114586596
5-iodo-4-(3-methoxypropoxy)-1H-pyrimidin-6-one
CID 114675863
4-hexoxy-5-iodo-1H-pyrimidin-6-one
CID 114675878
4-cyclohexyloxy-5-iodo-1H-pyrimidin-6-one
CID 114675899

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyloxy-5-iodo-1H-pyrimidin-6-one?
The IUPAC name of 4-cyclopentyloxy-5-iodo-1H-pyrimidin-6-one (CID 114675902) is 4-cyclopentyloxy-5-iodo-1H-pyrimidin-6-one.
What is the SMILES notation for 4-cyclopentyloxy-5-iodo-1H-pyrimidin-6-one?
The canonical SMILES for 4-cyclopentyloxy-5-iodo-1H-pyrimidin-6-one is O=c1[nH]cnc(OC2CCCC2)c1I.
What is the InChIKey of 4-cyclopentyloxy-5-iodo-1H-pyrimidin-6-one?
The InChIKey is GWARYWCHPLVGLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11IN2O2/c10-7-8(13)11-5-12-9(7)14-6-3-1-2-4-6/h5-6H,1-4H2,(H,11,12,13).
What are the key properties of 4-cyclopentyloxy-5-iodo-1H-pyrimidin-6-one?
4-cyclopentyloxy-5-iodo-1H-pyrimidin-6-one has a molecular weight of 306.10 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyloxy-5-iodo-1H-pyrimidin-6-one is sourced from PubChem (CID 114675902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).