5-bromo-6-methyl-3-(4-methylpentyl)pyrimidin-4-one

C11H17BrN2O — CID 83161084

IUPAC5-bromo-6-methyl-3-(4-methylpentyl)pyrimidin-4-one
SMILESCc1ncn(CCCC(C)C)c(=O)c1Br
InChIInChI=1S/C11H17BrN2O/c1-8(2)5-4-6-14-7-13-9(3)10(12)11(14)15/h7-8H,4-6H2,1-3H3
InChIKeySOHOLHIJGKSOMF-UHFFFAOYSA-N
MW273.17 g/mol
LogP2.75
Rot. Bonds4

About 5-bromo-6-methyl-3-(4-methylpentyl)pyrimidin-4-one

5-bromo-6-methyl-3-(4-methylpentyl)pyrimidin-4-one (PubChem CID 83161084) has the molecular formula C11H17BrN2O and a molecular weight of 273.17 g/mol. Its IUPAC name is 5-bromo-6-methyl-3-(4-methylpentyl)pyrimidin-4-one.

Molecular Properties

Compound Name5-bromo-6-methyl-3-(4-methylpentyl)pyrimidin-4-one
PubChem CID83161084
Molecular FormulaC11H17BrN2O
Molecular Weight273.17 g/mol
Exact Mass272.05
IUPAC Name5-bromo-6-methyl-3-(4-methylpentyl)pyrimidin-4-one
SMILESCc1ncn(CCCC(C)C)c(=O)c1Br
InChIInChI=1S/C11H17BrN2O/c1-8(2)5-4-6-14-7-13-9(3)10(12)11(14)15/h7-8H,4-6H2,1-3H3
InChIKeySOHOLHIJGKSOMF-UHFFFAOYSA-N
XLogP2.75
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.17
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-methyl-3-(4-methylpentyl)pyrimidin-4-one?
The IUPAC name of 5-bromo-6-methyl-3-(4-methylpentyl)pyrimidin-4-one (CID 83161084) is 5-bromo-6-methyl-3-(4-methylpentyl)pyrimidin-4-one.
What is the SMILES notation for 5-bromo-6-methyl-3-(4-methylpentyl)pyrimidin-4-one?
The canonical SMILES for 5-bromo-6-methyl-3-(4-methylpentyl)pyrimidin-4-one is Cc1ncn(CCCC(C)C)c(=O)c1Br.
What is the InChIKey of 5-bromo-6-methyl-3-(4-methylpentyl)pyrimidin-4-one?
The InChIKey is SOHOLHIJGKSOMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2O/c1-8(2)5-4-6-14-7-13-9(3)10(12)11(14)15/h7-8H,4-6H2,1-3H3.
What are the key properties of 5-bromo-6-methyl-3-(4-methylpentyl)pyrimidin-4-one?
5-bromo-6-methyl-3-(4-methylpentyl)pyrimidin-4-one has a molecular weight of 273.17 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-methyl-3-(4-methylpentyl)pyrimidin-4-one is sourced from PubChem (CID 83161084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).