5-iodo-2-(4-methylcyclohexyl)-1H-pyrimidin-6-one

C11H15IN2O — CID 66314710

IUPAC5-iodo-2-(4-methylcyclohexyl)-1H-pyrimidin-6-one
SMILESCC1CCC(c2ncc(I)c(=O)[nH]2)CC1
InChIInChI=1S/C11H15IN2O/c1-7-2-4-8(5-3-7)10-13-6-9(12)11(15)14-10/h6-8H,2-5H2,1H3,(H,13,14,15)
InChIKeyOPXQGYDAPCXNIG-UHFFFAOYSA-N
MW318.16 g/mol
LogP2.67
Rot. Bonds1

About 5-iodo-2-(4-methylcyclohexyl)-1H-pyrimidin-6-one

5-iodo-2-(4-methylcyclohexyl)-1H-pyrimidin-6-one (PubChem CID 66314710) has the molecular formula C11H15IN2O and a molecular weight of 318.16 g/mol. Its IUPAC name is 5-iodo-2-(4-methylcyclohexyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-iodo-2-(4-methylcyclohexyl)-1H-pyrimidin-6-one
PubChem CID66314710
Molecular FormulaC11H15IN2O
Molecular Weight318.16 g/mol
Exact Mass318.02
IUPAC Name5-iodo-2-(4-methylcyclohexyl)-1H-pyrimidin-6-one
SMILESCC1CCC(c2ncc(I)c(=O)[nH]2)CC1
InChIInChI=1S/C11H15IN2O/c1-7-2-4-8(5-3-7)10-13-6-9(12)11(15)14-10/h6-8H,2-5H2,1H3,(H,13,14,15)
InChIKeyOPXQGYDAPCXNIG-UHFFFAOYSA-N
XLogP2.67
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.16
LogP ≤ 52.67
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 5-iodo-2-(4-methylcyclohexyl)-1H-pyrimidin-6-one?
The IUPAC name of 5-iodo-2-(4-methylcyclohexyl)-1H-pyrimidin-6-one (CID 66314710) is 5-iodo-2-(4-methylcyclohexyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-iodo-2-(4-methylcyclohexyl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-iodo-2-(4-methylcyclohexyl)-1H-pyrimidin-6-one is CC1CCC(c2ncc(I)c(=O)[nH]2)CC1.
What is the InChIKey of 5-iodo-2-(4-methylcyclohexyl)-1H-pyrimidin-6-one?
The InChIKey is OPXQGYDAPCXNIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15IN2O/c1-7-2-4-8(5-3-7)10-13-6-9(12)11(15)14-10/h6-8H,2-5H2,1H3,(H,13,14,15).
What are the key properties of 5-iodo-2-(4-methylcyclohexyl)-1H-pyrimidin-6-one?
5-iodo-2-(4-methylcyclohexyl)-1H-pyrimidin-6-one has a molecular weight of 318.16 g/mol, XLogP of 2.67, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-2-(4-methylcyclohexyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 66314710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).