5-bromo-4-hydroxy-2-(3-methylcyclohexyl)-1H-pyrimidin-6-one

C11H15BrN2O2 — CID 66285151

IUPAC5-bromo-4-hydroxy-2-(3-methylcyclohexyl)-1H-pyrimidin-6-one
SMILESCC1CCCC(c2nc(O)c(Br)c(=O)[nH]2)C1
InChIInChI=1S/C11H15BrN2O2/c1-6-3-2-4-7(5-6)9-13-10(15)8(12)11(16)14-9/h6-7H,2-5H2,1H3,(H2,13,14,15,16)
InChIKeyCCUKSUMQUYVOFA-UHFFFAOYSA-N
MW287.16 g/mol
LogP2.53
Rot. Bonds1

About 5-bromo-4-hydroxy-2-(3-methylcyclohexyl)-1H-pyrimidin-6-one

5-bromo-4-hydroxy-2-(3-methylcyclohexyl)-1H-pyrimidin-6-one (PubChem CID 66285151) has the molecular formula C11H15BrN2O2 and a molecular weight of 287.16 g/mol. Its IUPAC name is 5-bromo-4-hydroxy-2-(3-methylcyclohexyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-hydroxy-2-(3-methylcyclohexyl)-1H-pyrimidin-6-one
PubChem CID66285151
Molecular FormulaC11H15BrN2O2
Molecular Weight287.16 g/mol
Exact Mass286.03
IUPAC Name5-bromo-4-hydroxy-2-(3-methylcyclohexyl)-1H-pyrimidin-6-one
SMILESCC1CCCC(c2nc(O)c(Br)c(=O)[nH]2)C1
InChIInChI=1S/C11H15BrN2O2/c1-6-3-2-4-7(5-6)9-13-10(15)8(12)11(16)14-9/h6-7H,2-5H2,1H3,(H2,13,14,15,16)
InChIKeyCCUKSUMQUYVOFA-UHFFFAOYSA-N
XLogP2.53
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.16
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-hydroxy-2-(3-methylcyclohexyl)-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-hydroxy-2-(3-methylcyclohexyl)-1H-pyrimidin-6-one (CID 66285151) is 5-bromo-4-hydroxy-2-(3-methylcyclohexyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-hydroxy-2-(3-methylcyclohexyl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-hydroxy-2-(3-methylcyclohexyl)-1H-pyrimidin-6-one is CC1CCCC(c2nc(O)c(Br)c(=O)[nH]2)C1.
What is the InChIKey of 5-bromo-4-hydroxy-2-(3-methylcyclohexyl)-1H-pyrimidin-6-one?
The InChIKey is CCUKSUMQUYVOFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O2/c1-6-3-2-4-7(5-6)9-13-10(15)8(12)11(16)14-9/h6-7H,2-5H2,1H3,(H2,13,14,15,16).
What are the key properties of 5-bromo-4-hydroxy-2-(3-methylcyclohexyl)-1H-pyrimidin-6-one?
5-bromo-4-hydroxy-2-(3-methylcyclohexyl)-1H-pyrimidin-6-one has a molecular weight of 287.16 g/mol, XLogP of 2.53, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-hydroxy-2-(3-methylcyclohexyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 66285151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).