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

C15H23BrN2O2 — CID 136963951

IUPAC5-bromo-2-(1-ethoxy-4-methylcyclohexyl)-4-ethyl-1H-pyrimidin-6-one
SMILESCCOC1(c2nc(CC)c(Br)c(=O)[nH]2)CCC(C)CC1
InChIInChI=1S/C15H23BrN2O2/c1-4-11-12(16)13(19)18-14(17-11)15(20-5-2)8-6-10(3)7-9-15/h10H,4-9H2,1-3H3,(H,17,18,19)
InChIKeyZVWHZBPJOWWIRZ-UHFFFAOYSA-N
MW343.27 g/mol
LogP3.54
Rot. Bonds4

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

5-bromo-2-(1-ethoxy-4-methylcyclohexyl)-4-ethyl-1H-pyrimidin-6-one (PubChem CID 136963951) has the molecular formula C15H23BrN2O2 and a molecular weight of 343.27 g/mol. Its IUPAC name is 5-bromo-2-(1-ethoxy-4-methylcyclohexyl)-4-ethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-2-(1-ethoxy-4-methylcyclohexyl)-4-ethyl-1H-pyrimidin-6-one
PubChem CID136963951
Molecular FormulaC15H23BrN2O2
Molecular Weight343.27 g/mol
Exact Mass342.09
IUPAC Name5-bromo-2-(1-ethoxy-4-methylcyclohexyl)-4-ethyl-1H-pyrimidin-6-one
SMILESCCOC1(c2nc(CC)c(Br)c(=O)[nH]2)CCC(C)CC1
InChIInChI=1S/C15H23BrN2O2/c1-4-11-12(16)13(19)18-14(17-11)15(20-5-2)8-6-10(3)7-9-15/h10H,4-9H2,1-3H3,(H,17,18,19)
InChIKeyZVWHZBPJOWWIRZ-UHFFFAOYSA-N
XLogP3.54
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.27
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(1-ethoxy-4-methylcyclohexyl)-4-ethyl-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-2-(1-ethoxy-4-methylcyclohexyl)-4-ethyl-1H-pyrimidin-6-one (CID 136963951) is 5-bromo-2-(1-ethoxy-4-methylcyclohexyl)-4-ethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-2-(1-ethoxy-4-methylcyclohexyl)-4-ethyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-2-(1-ethoxy-4-methylcyclohexyl)-4-ethyl-1H-pyrimidin-6-one is CCOC1(c2nc(CC)c(Br)c(=O)[nH]2)CCC(C)CC1.
What is the InChIKey of 5-bromo-2-(1-ethoxy-4-methylcyclohexyl)-4-ethyl-1H-pyrimidin-6-one?
The InChIKey is ZVWHZBPJOWWIRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O2/c1-4-11-12(16)13(19)18-14(17-11)15(20-5-2)8-6-10(3)7-9-15/h10H,4-9H2,1-3H3,(H,17,18,19).
What are the key properties of 5-bromo-2-(1-ethoxy-4-methylcyclohexyl)-4-ethyl-1H-pyrimidin-6-one?
5-bromo-2-(1-ethoxy-4-methylcyclohexyl)-4-ethyl-1H-pyrimidin-6-one has a molecular weight of 343.27 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(1-ethoxy-4-methylcyclohexyl)-4-ethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136963951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).