5-iodo-2-methyl-3-(4-methylpentyl)pyrimidin-4-one

C11H17IN2O — CID 83161302

IUPAC5-iodo-2-methyl-3-(4-methylpentyl)pyrimidin-4-one
SMILESCc1ncc(I)c(=O)n1CCCC(C)C
InChIInChI=1S/C11H17IN2O/c1-8(2)5-4-6-14-9(3)13-7-10(12)11(14)15/h7-8H,4-6H2,1-3H3
InChIKeyVAHUZRFFRCVYHM-UHFFFAOYSA-N
MW320.17 g/mol
LogP2.59
Rot. Bonds4

About 5-iodo-2-methyl-3-(4-methylpentyl)pyrimidin-4-one

5-iodo-2-methyl-3-(4-methylpentyl)pyrimidin-4-one (PubChem CID 83161302) has the molecular formula C11H17IN2O and a molecular weight of 320.17 g/mol. Its IUPAC name is 5-iodo-2-methyl-3-(4-methylpentyl)pyrimidin-4-one.

Molecular Properties

Compound Name5-iodo-2-methyl-3-(4-methylpentyl)pyrimidin-4-one
PubChem CID83161302
Molecular FormulaC11H17IN2O
Molecular Weight320.17 g/mol
Exact Mass320.04
IUPAC Name5-iodo-2-methyl-3-(4-methylpentyl)pyrimidin-4-one
SMILESCc1ncc(I)c(=O)n1CCCC(C)C
InChIInChI=1S/C11H17IN2O/c1-8(2)5-4-6-14-9(3)13-7-10(12)11(14)15/h7-8H,4-6H2,1-3H3
InChIKeyVAHUZRFFRCVYHM-UHFFFAOYSA-N
XLogP2.59
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.17
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-methyl-3-(4-methylpentyl)pyrimidin-4-one?
The IUPAC name of 5-iodo-2-methyl-3-(4-methylpentyl)pyrimidin-4-one (CID 83161302) is 5-iodo-2-methyl-3-(4-methylpentyl)pyrimidin-4-one.
What is the SMILES notation for 5-iodo-2-methyl-3-(4-methylpentyl)pyrimidin-4-one?
The canonical SMILES for 5-iodo-2-methyl-3-(4-methylpentyl)pyrimidin-4-one is Cc1ncc(I)c(=O)n1CCCC(C)C.
What is the InChIKey of 5-iodo-2-methyl-3-(4-methylpentyl)pyrimidin-4-one?
The InChIKey is VAHUZRFFRCVYHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17IN2O/c1-8(2)5-4-6-14-9(3)13-7-10(12)11(14)15/h7-8H,4-6H2,1-3H3.
What are the key properties of 5-iodo-2-methyl-3-(4-methylpentyl)pyrimidin-4-one?
5-iodo-2-methyl-3-(4-methylpentyl)pyrimidin-4-one has a molecular weight of 320.17 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-2-methyl-3-(4-methylpentyl)pyrimidin-4-one is sourced from PubChem (CID 83161302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).