3-(cyclohexylmethyl)-5-iodopyrimidin-4-one

C11H15IN2O — CID 66308836

IUPAC3-(cyclohexylmethyl)-5-iodopyrimidin-4-one
SMILESO=c1c(I)cncn1CC1CCCCC1
InChIInChI=1S/C11H15IN2O/c12-10-6-13-8-14(11(10)15)7-9-4-2-1-3-5-9/h6,8-9H,1-5,7H2
InChIKeyXUBIJELLZOBBCN-UHFFFAOYSA-N
MW318.16 g/mol
LogP2.43
Rot. Bonds2

About 3-(cyclohexylmethyl)-5-iodopyrimidin-4-one

3-(cyclohexylmethyl)-5-iodopyrimidin-4-one (PubChem CID 66308836) has the molecular formula C11H15IN2O and a molecular weight of 318.16 g/mol. Its IUPAC name is 3-(cyclohexylmethyl)-5-iodopyrimidin-4-one.

Molecular Properties

Compound Name3-(cyclohexylmethyl)-5-iodopyrimidin-4-one
PubChem CID66308836
Molecular FormulaC11H15IN2O
Molecular Weight318.16 g/mol
Exact Mass318.02
IUPAC Name3-(cyclohexylmethyl)-5-iodopyrimidin-4-one
SMILESO=c1c(I)cncn1CC1CCCCC1
InChIInChI=1S/C11H15IN2O/c12-10-6-13-8-14(11(10)15)7-9-4-2-1-3-5-9/h6,8-9H,1-5,7H2
InChIKeyXUBIJELLZOBBCN-UHFFFAOYSA-N
XLogP2.43
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.16
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(3,3-Difluorocyclohexyl)methyl]-5-iodo-2-methylpyrimidin-4-one
CID 114224991
3-(2-Cyclopentylethyl)-5-fluoropyrimidin-4-one
CID 126790683
3-[(4,4-Difluorocyclohexyl)methyl]pyrimidin-4-one
CID 126794018
3-[[1-(Bromomethyl)cyclohexyl]methyl]-5-iodopyrimidin-4-one
CID 66307799
5-Iodo-3-(3-methylbutyl)pyrimidin-4-one
CID 66308006
3-Hexyl-5-iodopyrimidin-4-one
CID 66308007
3-Heptyl-5-iodopyrimidin-4-one
CID 66308213
5-Iodo-3-(2-methylpentyl)pyrimidin-4-one
CID 66308442
3-(2-Cyclopropylethyl)-5-iodopyrimidin-4-one
CID 66308845
3-(Cyclobutylmethyl)-5-iodopyrimidin-4-one
CID 66308858
3-[2-(Cyclohexylmethylamino)ethyl]-5-iodopyrimidin-4-one
CID 66308867
5-Iodo-3-(2-piperidin-3-ylethyl)pyrimidin-4-one
CID 66309296

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylmethyl)-5-iodopyrimidin-4-one?
The IUPAC name of 3-(cyclohexylmethyl)-5-iodopyrimidin-4-one (CID 66308836) is 3-(cyclohexylmethyl)-5-iodopyrimidin-4-one.
What is the SMILES notation for 3-(cyclohexylmethyl)-5-iodopyrimidin-4-one?
The canonical SMILES for 3-(cyclohexylmethyl)-5-iodopyrimidin-4-one is O=c1c(I)cncn1CC1CCCCC1.
What is the InChIKey of 3-(cyclohexylmethyl)-5-iodopyrimidin-4-one?
The InChIKey is XUBIJELLZOBBCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15IN2O/c12-10-6-13-8-14(11(10)15)7-9-4-2-1-3-5-9/h6,8-9H,1-5,7H2.
What are the key properties of 3-(cyclohexylmethyl)-5-iodopyrimidin-4-one?
3-(cyclohexylmethyl)-5-iodopyrimidin-4-one has a molecular weight of 318.16 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylmethyl)-5-iodopyrimidin-4-one is sourced from PubChem (CID 66308836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).