5-bromo-2-(1-methoxycyclohexyl)-1H-pyrimidin-6-one

C11H15BrN2O2 — CID 116745481

IUPAC5-bromo-2-(1-methoxycyclohexyl)-1H-pyrimidin-6-one
SMILESCOC1(c2ncc(Br)c(=O)[nH]2)CCCCC1
InChIInChI=1S/C11H15BrN2O2/c1-16-11(5-3-2-4-6-11)10-13-7-8(12)9(15)14-10/h7H,2-6H2,1H3,(H,13,14,15)
InChIKeyKJSMBTQBVMPENE-UHFFFAOYSA-N
MW287.16 g/mol
LogP2.34
Rot. Bonds2

About 5-bromo-2-(1-methoxycyclohexyl)-1H-pyrimidin-6-one

5-bromo-2-(1-methoxycyclohexyl)-1H-pyrimidin-6-one (PubChem CID 116745481) has the molecular formula C11H15BrN2O2 and a molecular weight of 287.16 g/mol. Its IUPAC name is 5-bromo-2-(1-methoxycyclohexyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-2-(1-methoxycyclohexyl)-1H-pyrimidin-6-one
PubChem CID116745481
Molecular FormulaC11H15BrN2O2
Molecular Weight287.16 g/mol
Exact Mass286.03
IUPAC Name5-bromo-2-(1-methoxycyclohexyl)-1H-pyrimidin-6-one
SMILESCOC1(c2ncc(Br)c(=O)[nH]2)CCCCC1
InChIInChI=1S/C11H15BrN2O2/c1-16-11(5-3-2-4-6-11)10-13-7-8(12)9(15)14-10/h7H,2-6H2,1H3,(H,13,14,15)
InChIKeyKJSMBTQBVMPENE-UHFFFAOYSA-N
XLogP2.34
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 ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 113559574
5-bromo-2-(1-methoxy-4-methylcyclohexyl)-1H-pyrimidin-6-one
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5-bromo-2-(1-methoxy-4,4-dimethylcyclohexyl)-1H-pyrimidin-6-one
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2-(1-ethoxycyclohexyl)-5-iodo-1H-pyrimidin-6-one
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5-(bromomethyl)-2-(1-ethoxy-4-methylcyclohexyl)-1H-pyrimidin-6-one
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CID 116705907

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(1-methoxycyclohexyl)-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-2-(1-methoxycyclohexyl)-1H-pyrimidin-6-one (CID 116745481) is 5-bromo-2-(1-methoxycyclohexyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-2-(1-methoxycyclohexyl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-2-(1-methoxycyclohexyl)-1H-pyrimidin-6-one is COC1(c2ncc(Br)c(=O)[nH]2)CCCCC1.
What is the InChIKey of 5-bromo-2-(1-methoxycyclohexyl)-1H-pyrimidin-6-one?
The InChIKey is KJSMBTQBVMPENE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O2/c1-16-11(5-3-2-4-6-11)10-13-7-8(12)9(15)14-10/h7H,2-6H2,1H3,(H,13,14,15).
What are the key properties of 5-bromo-2-(1-methoxycyclohexyl)-1H-pyrimidin-6-one?
5-bromo-2-(1-methoxycyclohexyl)-1H-pyrimidin-6-one has a molecular weight of 287.16 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(1-methoxycyclohexyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 116745481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).