2-[cyclohexyl(methoxy)methyl]-5-iodo-1H-pyrimidin-6-one

C12H17IN2O2 — CID 116745508

IUPAC2-[cyclohexyl(methoxy)methyl]-5-iodo-1H-pyrimidin-6-one
SMILESCOC(c1ncc(I)c(=O)[nH]1)C1CCCCC1
InChIInChI=1S/C12H17IN2O2/c1-17-10(8-5-3-2-4-6-8)11-14-7-9(13)12(16)15-11/h7-8,10H,2-6H2,1H3,(H,14,15,16)
InChIKeyWYNWMZUMFJBIRF-UHFFFAOYSA-N
MW348.18 g/mol
LogP2.64
Rot. Bonds3

About 2-[cyclohexyl(methoxy)methyl]-5-iodo-1H-pyrimidin-6-one

2-[cyclohexyl(methoxy)methyl]-5-iodo-1H-pyrimidin-6-one (PubChem CID 116745508) has the molecular formula C12H17IN2O2 and a molecular weight of 348.18 g/mol. Its IUPAC name is 2-[cyclohexyl(methoxy)methyl]-5-iodo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[cyclohexyl(methoxy)methyl]-5-iodo-1H-pyrimidin-6-one
PubChem CID116745508
Molecular FormulaC12H17IN2O2
Molecular Weight348.18 g/mol
Exact Mass348.03
IUPAC Name2-[cyclohexyl(methoxy)methyl]-5-iodo-1H-pyrimidin-6-one
SMILESCOC(c1ncc(I)c(=O)[nH]1)C1CCCCC1
InChIInChI=1S/C12H17IN2O2/c1-17-10(8-5-3-2-4-6-8)11-14-7-9(13)12(16)15-11/h7-8,10H,2-6H2,1H3,(H,14,15,16)
InChIKeyWYNWMZUMFJBIRF-UHFFFAOYSA-N
XLogP2.64
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.18
LogP ≤ 52.64
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

2-[cyclohexyl(ethoxy)methyl]-1H-pyrimidin-6-one
CID 113559510
2-[cyclohexyl(ethoxy)methyl]-4-hydroxy-1H-pyrimidin-6-one
CID 113559531
2-[cyclohexyl(ethoxy)methyl]-5-iodo-1H-pyrimidin-6-one
CID 113559578
2-(1-ethoxycyclohexyl)-5-iodo-1H-pyrimidin-6-one
CID 113559579
5-iodo-2-(1-methoxy-3-methylcyclohexyl)-1H-pyrimidin-6-one
CID 113559580
5-(chloromethyl)-2-[cyclohexyl(ethoxy)methyl]-1H-pyrimidin-6-one
CID 114205222
5-amino-2-[cyclohexyl(ethoxy)methyl]-1H-pyrimidin-6-one
CID 114207019
2-(1-methoxycyclohexyl)-1H-pyrimidin-6-one
CID 116744916
2-(1-ethoxycyclohexyl)-1H-pyrimidin-6-one
CID 116744925
2-[cyclohexyl(methoxy)methyl]-1H-pyrimidin-6-one
CID 116744929
2-[cyclohexyl(methoxy)methyl]-4-hydroxy-1H-pyrimidin-6-one
CID 116745107
2-[cyclohexyl(methoxy)methyl]-4-hydroxy-5-methyl-1H-pyrimidin-6-one
CID 116745123

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl(methoxy)methyl]-5-iodo-1H-pyrimidin-6-one?
The IUPAC name of 2-[cyclohexyl(methoxy)methyl]-5-iodo-1H-pyrimidin-6-one (CID 116745508) is 2-[cyclohexyl(methoxy)methyl]-5-iodo-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[cyclohexyl(methoxy)methyl]-5-iodo-1H-pyrimidin-6-one?
The canonical SMILES for 2-[cyclohexyl(methoxy)methyl]-5-iodo-1H-pyrimidin-6-one is COC(c1ncc(I)c(=O)[nH]1)C1CCCCC1.
What is the InChIKey of 2-[cyclohexyl(methoxy)methyl]-5-iodo-1H-pyrimidin-6-one?
The InChIKey is WYNWMZUMFJBIRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17IN2O2/c1-17-10(8-5-3-2-4-6-8)11-14-7-9(13)12(16)15-11/h7-8,10H,2-6H2,1H3,(H,14,15,16).
What are the key properties of 2-[cyclohexyl(methoxy)methyl]-5-iodo-1H-pyrimidin-6-one?
2-[cyclohexyl(methoxy)methyl]-5-iodo-1H-pyrimidin-6-one has a molecular weight of 348.18 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl(methoxy)methyl]-5-iodo-1H-pyrimidin-6-one is sourced from PubChem (CID 116745508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).