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

C11H15BrN2O2 — CID 114676079

IUPAC5-bromo-4-(2-methylcyclohexyl)oxy-1H-pyrimidin-6-one
SMILESCC1CCCCC1Oc1nc[nH]c(=O)c1Br
InChIInChI=1S/C11H15BrN2O2/c1-7-4-2-3-5-8(7)16-11-9(12)10(15)13-6-14-11/h6-8H,2-5H2,1H3,(H,13,14,15)
InChIKeyVUJRBQXGSQTQFL-UHFFFAOYSA-N
MW287.16 g/mol
LogP2.49
Rot. Bonds2

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

5-bromo-4-(2-methylcyclohexyl)oxy-1H-pyrimidin-6-one (PubChem CID 114676079) has the molecular formula C11H15BrN2O2 and a molecular weight of 287.16 g/mol. Its IUPAC name is 5-bromo-4-(2-methylcyclohexyl)oxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-(2-methylcyclohexyl)oxy-1H-pyrimidin-6-one
PubChem CID114676079
Molecular FormulaC11H15BrN2O2
Molecular Weight287.16 g/mol
Exact Mass286.03
IUPAC Name5-bromo-4-(2-methylcyclohexyl)oxy-1H-pyrimidin-6-one
SMILESCC1CCCCC1Oc1nc[nH]c(=O)c1Br
InChIInChI=1S/C11H15BrN2O2/c1-7-4-2-3-5-8(7)16-11-9(12)10(15)13-6-14-11/h6-8H,2-5H2,1H3,(H,13,14,15)
InChIKeyVUJRBQXGSQTQFL-UHFFFAOYSA-N
XLogP2.49
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.16
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-4-(2-ethylcyclohexyl)oxy-1H-pyrimidin-6-one
CID 103240639
4-(2-ethylcyclohexyl)oxy-1H-pyrimidin-6-one
CID 103240648
5-amino-4-(2-methylcyclohexyl)oxy-1H-pyrimidin-6-one
CID 103240651
4-(2-methylcyclohexyl)oxy-1H-pyrimidin-6-one
CID 103240658
5-bromo-4-(2-methylpentoxy)-1H-pyrimidin-6-one
CID 103284594
5-bromo-4-(2-cyclobutylethoxy)-1H-pyrimidin-6-one
CID 106203687
4-[2-(aminomethyl)cyclohexyl]oxy-5-bromo-1H-pyrimidin-6-one
CID 113604888
5-bromo-4-(3,3,5-trimethylcyclohexyl)oxy-1H-pyrimidin-6-one
CID 113616045
5-methoxy-4-(2-methylcyclohexyl)oxy-1H-pyrimidin-6-one
CID 113792626
5-bromo-4-[4-(hydroxymethyl)cyclohexyl]oxy-1H-pyrimidin-6-one
CID 113881492
5-bromo-4-cyclohexyloxy-1H-pyrimidin-6-one
CID 114675900
5-bromo-4-(5-methyl-2-propan-2-ylcyclohexyl)oxy-1H-pyrimidin-6-one
CID 114676076

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(2-methylcyclohexyl)oxy-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-(2-methylcyclohexyl)oxy-1H-pyrimidin-6-one (CID 114676079) is 5-bromo-4-(2-methylcyclohexyl)oxy-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-(2-methylcyclohexyl)oxy-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-(2-methylcyclohexyl)oxy-1H-pyrimidin-6-one is CC1CCCCC1Oc1nc[nH]c(=O)c1Br.
What is the InChIKey of 5-bromo-4-(2-methylcyclohexyl)oxy-1H-pyrimidin-6-one?
The InChIKey is VUJRBQXGSQTQFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O2/c1-7-4-2-3-5-8(7)16-11-9(12)10(15)13-6-14-11/h6-8H,2-5H2,1H3,(H,13,14,15).
What are the key properties of 5-bromo-4-(2-methylcyclohexyl)oxy-1H-pyrimidin-6-one?
5-bromo-4-(2-methylcyclohexyl)oxy-1H-pyrimidin-6-one has a molecular weight of 287.16 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(2-methylcyclohexyl)oxy-1H-pyrimidin-6-one is sourced from PubChem (CID 114676079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).