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

C10H13IN2O2 — CID 114675899

IUPAC4-cyclohexyloxy-5-iodo-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(OC2CCCCC2)c1I
InChIInChI=1S/C10H13IN2O2/c11-8-9(14)12-6-13-10(8)15-7-4-2-1-3-5-7/h6-7H,1-5H2,(H,12,13,14)
InChIKeyPPFJPOSWNIJXML-UHFFFAOYSA-N
MW320.13 g/mol
LogP2.09
Rot. Bonds2

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

4-cyclohexyloxy-5-iodo-1H-pyrimidin-6-one (PubChem CID 114675899) has the molecular formula C10H13IN2O2 and a molecular weight of 320.13 g/mol. Its IUPAC name is 4-cyclohexyloxy-5-iodo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-cyclohexyloxy-5-iodo-1H-pyrimidin-6-one
PubChem CID114675899
Molecular FormulaC10H13IN2O2
Molecular Weight320.13 g/mol
Exact Mass320.00
IUPAC Name4-cyclohexyloxy-5-iodo-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(OC2CCCCC2)c1I
InChIInChI=1S/C10H13IN2O2/c11-8-9(14)12-6-13-10(8)15-7-4-2-1-3-5-7/h6-7H,1-5H2,(H,12,13,14)
InChIKeyPPFJPOSWNIJXML-UHFFFAOYSA-N
XLogP2.09
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.13
LogP ≤ 52.09
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-amino-4-cyclohexyloxy-1H-pyrimidin-6-one
CID 19152719
4-(4-aminocyclohexyl)oxy-5-iodo-1H-pyrimidin-6-one
CID 102729351
5-iodo-4-pentan-2-yloxy-1H-pyrimidin-6-one
CID 102983147
4-cyclohexyloxy-1H-pyrimidin-6-one
CID 103240539
4-(2-cyclobutylethoxy)-5-iodo-1H-pyrimidin-6-one
CID 106203691
4-(3-aminocyclohexyl)oxy-5-iodo-1H-pyrimidin-6-one
CID 114586579
4-(2-aminocyclohexyl)oxy-5-iodo-1H-pyrimidin-6-one
CID 114586605
4-hexoxy-5-iodo-1H-pyrimidin-6-one
CID 114675878
5-iodo-4-octoxy-1H-pyrimidin-6-one
CID 114675893
5-chloro-4-cyclohexyloxy-1H-pyrimidin-6-one
CID 114675898
5-bromo-4-cyclohexyloxy-1H-pyrimidin-6-one
CID 114675900
4-cyclopentyloxy-5-iodo-1H-pyrimidin-6-one
CID 114675902

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyloxy-5-iodo-1H-pyrimidin-6-one?
The IUPAC name of 4-cyclohexyloxy-5-iodo-1H-pyrimidin-6-one (CID 114675899) is 4-cyclohexyloxy-5-iodo-1H-pyrimidin-6-one.
What is the SMILES notation for 4-cyclohexyloxy-5-iodo-1H-pyrimidin-6-one?
The canonical SMILES for 4-cyclohexyloxy-5-iodo-1H-pyrimidin-6-one is O=c1[nH]cnc(OC2CCCCC2)c1I.
What is the InChIKey of 4-cyclohexyloxy-5-iodo-1H-pyrimidin-6-one?
The InChIKey is PPFJPOSWNIJXML-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13IN2O2/c11-8-9(14)12-6-13-10(8)15-7-4-2-1-3-5-7/h6-7H,1-5H2,(H,12,13,14).
What are the key properties of 4-cyclohexyloxy-5-iodo-1H-pyrimidin-6-one?
4-cyclohexyloxy-5-iodo-1H-pyrimidin-6-one has a molecular weight of 320.13 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyloxy-5-iodo-1H-pyrimidin-6-one is sourced from PubChem (CID 114675899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).