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

C13H18N2O4 — CID 663253

IUPAC5-acetyl-1-cycloheptyl-6-hydroxypyrimidine-2,4-dione
SMILESCC(=O)c1c(O)n(C2CCCCCC2)c(=O)[nH]c1=O
InChIInChI=1S/C13H18N2O4/c1-8(16)10-11(17)14-13(19)15(12(10)18)9-6-4-2-3-5-7-9/h9,18H,2-7H2,1H3,(H,14,17,19)
InChIKeyUFQLABUDLUVKNK-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.34
Rot. Bonds2

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

5-acetyl-1-cycloheptyl-6-hydroxypyrimidine-2,4-dione (PubChem CID 663253) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 5-acetyl-1-cycloheptyl-6-hydroxypyrimidine-2,4-dione.

Molecular Properties

Compound Name5-acetyl-1-cycloheptyl-6-hydroxypyrimidine-2,4-dione
PubChem CID663253
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name5-acetyl-1-cycloheptyl-6-hydroxypyrimidine-2,4-dione
SMILESCC(=O)c1c(O)n(C2CCCCCC2)c(=O)[nH]c1=O
InChIInChI=1S/C13H18N2O4/c1-8(16)10-11(17)14-13(19)15(12(10)18)9-6-4-2-3-5-7-9/h9,18H,2-7H2,1H3,(H,14,17,19)
InChIKeyUFQLABUDLUVKNK-UHFFFAOYSA-N
XLogP1.34
TPSA92.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-1-cycloheptyl-6-hydroxypyrimidine-2,4-dione?
The IUPAC name of 5-acetyl-1-cycloheptyl-6-hydroxypyrimidine-2,4-dione (CID 663253) is 5-acetyl-1-cycloheptyl-6-hydroxypyrimidine-2,4-dione.
What is the SMILES notation for 5-acetyl-1-cycloheptyl-6-hydroxypyrimidine-2,4-dione?
The canonical SMILES for 5-acetyl-1-cycloheptyl-6-hydroxypyrimidine-2,4-dione is CC(=O)c1c(O)n(C2CCCCCC2)c(=O)[nH]c1=O.
What is the InChIKey of 5-acetyl-1-cycloheptyl-6-hydroxypyrimidine-2,4-dione?
The InChIKey is UFQLABUDLUVKNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-8(16)10-11(17)14-13(19)15(12(10)18)9-6-4-2-3-5-7-9/h9,18H,2-7H2,1H3,(H,14,17,19).
What are the key properties of 5-acetyl-1-cycloheptyl-6-hydroxypyrimidine-2,4-dione?
5-acetyl-1-cycloheptyl-6-hydroxypyrimidine-2,4-dione has a molecular weight of 266.30 g/mol, XLogP of 1.34, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-1-cycloheptyl-6-hydroxypyrimidine-2,4-dione is sourced from PubChem (CID 663253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).