5-acetyl-3-[2-(4-methylcyclohexyl)ethyl]-1H-pyrimidine-2,4-dione

C15H22N2O3 — CID 80643712

IUPAC5-acetyl-3-[2-(4-methylcyclohexyl)ethyl]-1H-pyrimidine-2,4-dione
SMILESCC(=O)c1c[nH]c(=O)n(CCC2CCC(C)CC2)c1=O
InChIInChI=1S/C15H22N2O3/c1-10-3-5-12(6-4-10)7-8-17-14(19)13(11(2)18)9-16-15(17)20/h9-10,12H,3-8H2,1-2H3,(H,16,20)
InChIKeyHPVZKKJGXPIJFZ-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.96
Rot. Bonds4

About 5-acetyl-3-[2-(4-methylcyclohexyl)ethyl]-1H-pyrimidine-2,4-dione

5-acetyl-3-[2-(4-methylcyclohexyl)ethyl]-1H-pyrimidine-2,4-dione (PubChem CID 80643712) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 5-acetyl-3-[2-(4-methylcyclohexyl)ethyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-acetyl-3-[2-(4-methylcyclohexyl)ethyl]-1H-pyrimidine-2,4-dione
PubChem CID80643712
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name5-acetyl-3-[2-(4-methylcyclohexyl)ethyl]-1H-pyrimidine-2,4-dione
SMILESCC(=O)c1c[nH]c(=O)n(CCC2CCC(C)CC2)c1=O
InChIInChI=1S/C15H22N2O3/c1-10-3-5-12(6-4-10)7-8-17-14(19)13(11(2)18)9-16-15(17)20/h9-10,12H,3-8H2,1-2H3,(H,16,20)
InChIKeyHPVZKKJGXPIJFZ-UHFFFAOYSA-N
XLogP1.96
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-3-[2-(4-methylcyclohexyl)ethyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-acetyl-3-[2-(4-methylcyclohexyl)ethyl]-1H-pyrimidine-2,4-dione (CID 80643712) is 5-acetyl-3-[2-(4-methylcyclohexyl)ethyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-acetyl-3-[2-(4-methylcyclohexyl)ethyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-acetyl-3-[2-(4-methylcyclohexyl)ethyl]-1H-pyrimidine-2,4-dione is CC(=O)c1c[nH]c(=O)n(CCC2CCC(C)CC2)c1=O.
What is the InChIKey of 5-acetyl-3-[2-(4-methylcyclohexyl)ethyl]-1H-pyrimidine-2,4-dione?
The InChIKey is HPVZKKJGXPIJFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-10-3-5-12(6-4-10)7-8-17-14(19)13(11(2)18)9-16-15(17)20/h9-10,12H,3-8H2,1-2H3,(H,16,20).
What are the key properties of 5-acetyl-3-[2-(4-methylcyclohexyl)ethyl]-1H-pyrimidine-2,4-dione?
5-acetyl-3-[2-(4-methylcyclohexyl)ethyl]-1H-pyrimidine-2,4-dione has a molecular weight of 278.35 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-3-[2-(4-methylcyclohexyl)ethyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 80643712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).