2-cyclohexyl-5-iodo-1H-pyrimidin-6-one

C10H13IN2O — CID 66314299

IUPAC2-cyclohexyl-5-iodo-1H-pyrimidin-6-one
SMILESO=c1[nH]c(C2CCCCC2)ncc1I
InChIInChI=1S/C10H13IN2O/c11-8-6-12-9(13-10(8)14)7-4-2-1-3-5-7/h6-7H,1-5H2,(H,12,13,14)
InChIKeyOXEKHIRKWPJSAZ-UHFFFAOYSA-N
MW304.13 g/mol
LogP2.42
Rot. Bonds1

About 2-cyclohexyl-5-iodo-1H-pyrimidin-6-one

2-cyclohexyl-5-iodo-1H-pyrimidin-6-one (PubChem CID 66314299) has the molecular formula C10H13IN2O and a molecular weight of 304.13 g/mol. Its IUPAC name is 2-cyclohexyl-5-iodo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclohexyl-5-iodo-1H-pyrimidin-6-one
PubChem CID66314299
Molecular FormulaC10H13IN2O
Molecular Weight304.13 g/mol
Exact Mass304.01
IUPAC Name2-cyclohexyl-5-iodo-1H-pyrimidin-6-one
SMILESO=c1[nH]c(C2CCCCC2)ncc1I
InChIInChI=1S/C10H13IN2O/c11-8-6-12-9(13-10(8)14)7-4-2-1-3-5-7/h6-7H,1-5H2,(H,12,13,14)
InChIKeyOXEKHIRKWPJSAZ-UHFFFAOYSA-N
XLogP2.42
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.13
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-5-iodo-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclohexyl-5-iodo-1H-pyrimidin-6-one (CID 66314299) is 2-cyclohexyl-5-iodo-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclohexyl-5-iodo-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclohexyl-5-iodo-1H-pyrimidin-6-one is O=c1[nH]c(C2CCCCC2)ncc1I.
What is the InChIKey of 2-cyclohexyl-5-iodo-1H-pyrimidin-6-one?
The InChIKey is OXEKHIRKWPJSAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13IN2O/c11-8-6-12-9(13-10(8)14)7-4-2-1-3-5-7/h6-7H,1-5H2,(H,12,13,14).
What are the key properties of 2-cyclohexyl-5-iodo-1H-pyrimidin-6-one?
2-cyclohexyl-5-iodo-1H-pyrimidin-6-one has a molecular weight of 304.13 g/mol, XLogP of 2.42, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-5-iodo-1H-pyrimidin-6-one is sourced from PubChem (CID 66314299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).