5-acetyl-1-[2-(cyclohexen-1-yl)ethyl]-6-hydroxypyrimidine-2,4-dione

C14H18N2O4 — CID 1402800

IUPAC5-acetyl-1-[2-(cyclohexen-1-yl)ethyl]-6-hydroxypyrimidine-2,4-dione
SMILESCC(=O)c1c(O)n(CCC2=CCCCC2)c(=O)[nH]c1=O
InChIInChI=1S/C14H18N2O4/c1-9(17)11-12(18)15-14(20)16(13(11)19)8-7-10-5-3-2-4-6-10/h5,19H,2-4,6-8H2,1H3,(H,15,18,20)
InChIKeyVDFAZYZWWWRODB-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.34
Rot. Bonds4

About 5-acetyl-1-[2-(cyclohexen-1-yl)ethyl]-6-hydroxypyrimidine-2,4-dione

5-acetyl-1-[2-(cyclohexen-1-yl)ethyl]-6-hydroxypyrimidine-2,4-dione (PubChem CID 1402800) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 5-acetyl-1-[2-(cyclohexen-1-yl)ethyl]-6-hydroxypyrimidine-2,4-dione.

Molecular Properties

Compound Name5-acetyl-1-[2-(cyclohexen-1-yl)ethyl]-6-hydroxypyrimidine-2,4-dione
PubChem CID1402800
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name5-acetyl-1-[2-(cyclohexen-1-yl)ethyl]-6-hydroxypyrimidine-2,4-dione
SMILESCC(=O)c1c(O)n(CCC2=CCCCC2)c(=O)[nH]c1=O
InChIInChI=1S/C14H18N2O4/c1-9(17)11-12(18)15-14(20)16(13(11)19)8-7-10-5-3-2-4-6-10/h5,19H,2-4,6-8H2,1H3,(H,15,18,20)
InChIKeyVDFAZYZWWWRODB-UHFFFAOYSA-N
XLogP1.34
TPSA92.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-1-[2-(cyclohexen-1-yl)ethyl]-6-hydroxypyrimidine-2,4-dione?
The IUPAC name of 5-acetyl-1-[2-(cyclohexen-1-yl)ethyl]-6-hydroxypyrimidine-2,4-dione (CID 1402800) is 5-acetyl-1-[2-(cyclohexen-1-yl)ethyl]-6-hydroxypyrimidine-2,4-dione.
What is the SMILES notation for 5-acetyl-1-[2-(cyclohexen-1-yl)ethyl]-6-hydroxypyrimidine-2,4-dione?
The canonical SMILES for 5-acetyl-1-[2-(cyclohexen-1-yl)ethyl]-6-hydroxypyrimidine-2,4-dione is CC(=O)c1c(O)n(CCC2=CCCCC2)c(=O)[nH]c1=O.
What is the InChIKey of 5-acetyl-1-[2-(cyclohexen-1-yl)ethyl]-6-hydroxypyrimidine-2,4-dione?
The InChIKey is VDFAZYZWWWRODB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-9(17)11-12(18)15-14(20)16(13(11)19)8-7-10-5-3-2-4-6-10/h5,19H,2-4,6-8H2,1H3,(H,15,18,20).
What are the key properties of 5-acetyl-1-[2-(cyclohexen-1-yl)ethyl]-6-hydroxypyrimidine-2,4-dione?
5-acetyl-1-[2-(cyclohexen-1-yl)ethyl]-6-hydroxypyrimidine-2,4-dione has a molecular weight of 278.31 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-1-[2-(cyclohexen-1-yl)ethyl]-6-hydroxypyrimidine-2,4-dione is sourced from PubChem (CID 1402800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).