5-acetyl-1-cyclohexyl-6-hydroxypyrimidine-2,4-dione

C12H16N2O4 — CID 4900440

IUPAC5-acetyl-1-cyclohexyl-6-hydroxypyrimidine-2,4-dione
SMILESCC(=O)c1c(O)n(C2CCCCC2)c(=O)[nH]c1=O
InChIInChI=1S/C12H16N2O4/c1-7(15)9-10(16)13-12(18)14(11(9)17)8-5-3-2-4-6-8/h8,17H,2-6H2,1H3,(H,13,16,18)
InChIKeyYLGYUQRRXFRSMD-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.95
Rot. Bonds2

About 5-acetyl-1-cyclohexyl-6-hydroxypyrimidine-2,4-dione

5-acetyl-1-cyclohexyl-6-hydroxypyrimidine-2,4-dione (PubChem CID 4900440) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is 5-acetyl-1-cyclohexyl-6-hydroxypyrimidine-2,4-dione.

Molecular Properties

Compound Name5-acetyl-1-cyclohexyl-6-hydroxypyrimidine-2,4-dione
PubChem CID4900440
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Name5-acetyl-1-cyclohexyl-6-hydroxypyrimidine-2,4-dione
SMILESCC(=O)c1c(O)n(C2CCCCC2)c(=O)[nH]c1=O
InChIInChI=1S/C12H16N2O4/c1-7(15)9-10(16)13-12(18)14(11(9)17)8-5-3-2-4-6-8/h8,17H,2-6H2,1H3,(H,13,16,18)
InChIKeyYLGYUQRRXFRSMD-UHFFFAOYSA-N
XLogP0.95
TPSA92.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-1-cyclohexyl-6-hydroxypyrimidine-2,4-dione?
The IUPAC name of 5-acetyl-1-cyclohexyl-6-hydroxypyrimidine-2,4-dione (CID 4900440) is 5-acetyl-1-cyclohexyl-6-hydroxypyrimidine-2,4-dione.
What is the SMILES notation for 5-acetyl-1-cyclohexyl-6-hydroxypyrimidine-2,4-dione?
The canonical SMILES for 5-acetyl-1-cyclohexyl-6-hydroxypyrimidine-2,4-dione is CC(=O)c1c(O)n(C2CCCCC2)c(=O)[nH]c1=O.
What is the InChIKey of 5-acetyl-1-cyclohexyl-6-hydroxypyrimidine-2,4-dione?
The InChIKey is YLGYUQRRXFRSMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-7(15)9-10(16)13-12(18)14(11(9)17)8-5-3-2-4-6-8/h8,17H,2-6H2,1H3,(H,13,16,18).
What are the key properties of 5-acetyl-1-cyclohexyl-6-hydroxypyrimidine-2,4-dione?
5-acetyl-1-cyclohexyl-6-hydroxypyrimidine-2,4-dione has a molecular weight of 252.27 g/mol, XLogP of 0.95, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-1-cyclohexyl-6-hydroxypyrimidine-2,4-dione is sourced from PubChem (CID 4900440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).