1-decyl-5-ethyl-6-hydroxypyrimidine-2,4-dione

C16H28N2O3 — CID 115948792

IUPAC1-decyl-5-ethyl-6-hydroxypyrimidine-2,4-dione
SMILESCCCCCCCCCCn1c(O)c(CC)c(=O)[nH]c1=O
InChIInChI=1S/C16H28N2O3/c1-3-5-6-7-8-9-10-11-12-18-15(20)13(4-2)14(19)17-16(18)21/h20H,3-12H2,1-2H3,(H,17,19,21)
InChIKeyVGJCOBYCDBPOPG-UHFFFAOYSA-N
MW296.41 g/mol
LogP2.95
Rot. Bonds10

About 1-decyl-5-ethyl-6-hydroxypyrimidine-2,4-dione

1-decyl-5-ethyl-6-hydroxypyrimidine-2,4-dione (PubChem CID 115948792) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 1-decyl-5-ethyl-6-hydroxypyrimidine-2,4-dione.

Molecular Properties

Compound Name1-decyl-5-ethyl-6-hydroxypyrimidine-2,4-dione
PubChem CID115948792
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name1-decyl-5-ethyl-6-hydroxypyrimidine-2,4-dione
SMILESCCCCCCCCCCn1c(O)c(CC)c(=O)[nH]c1=O
InChIInChI=1S/C16H28N2O3/c1-3-5-6-7-8-9-10-11-12-18-15(20)13(4-2)14(19)17-16(18)21/h20H,3-12H2,1-2H3,(H,17,19,21)
InChIKeyVGJCOBYCDBPOPG-UHFFFAOYSA-N
XLogP2.95
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-hydroxy-5-methyl-1-octylpyrimidine-2,4-dione
CID 112601536
methyl 3-(5-ethyl-6-hydroxy-2,4-dioxopyrimidin-1-yl)propanoate
CID 112599658
1-(3-cyclopentylpropyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione
CID 106006233
5-ethyl-6-hydroxy-1-(2-methylsulfonylethyl)pyrimidine-2,4-dione
CID 112599612
N-cyclopropyl-4-(5-ethyl-6-hydroxy-2,4-dioxopyrimidin-1-yl)butanamide
CID 115948702
5-ethyl-6-hydroxy-1-(2-methylprop-2-enyl)pyrimidine-2,4-dione
CID 114619425
5-ethyl-1-[2-(4-fluorophenyl)ethyl]-6-hydroxypyrimidine-2,4-dione
CID 115946414
1-hexyl-1,3,5-triazinane-2,4,6-trione;isocyanic acid
CID 172765496
1-dodecyl-5-ethyl-6-hydroxy-4-methylpyridin-2-one
CID 57170518
6-benzyl-5-ethyl-1-pentylpyrimidine-2,4-dione
CID 142656446
1-butyl-5-(C-ethyl-N-hexylcarbonimidoyl)-6-hydroxypyrimidine-2,4-dione
CID 3251903
N-[(E)-(1-hexyl-6-hydroxy-2,4-dioxopyrimidin-5-yl)methylideneamino]heptanamide
CID 135717455

Frequently Asked Questions

What is the IUPAC name of 1-decyl-5-ethyl-6-hydroxypyrimidine-2,4-dione?
The IUPAC name of 1-decyl-5-ethyl-6-hydroxypyrimidine-2,4-dione (CID 115948792) is 1-decyl-5-ethyl-6-hydroxypyrimidine-2,4-dione.
What is the SMILES notation for 1-decyl-5-ethyl-6-hydroxypyrimidine-2,4-dione?
The canonical SMILES for 1-decyl-5-ethyl-6-hydroxypyrimidine-2,4-dione is CCCCCCCCCCn1c(O)c(CC)c(=O)[nH]c1=O.
What is the InChIKey of 1-decyl-5-ethyl-6-hydroxypyrimidine-2,4-dione?
The InChIKey is VGJCOBYCDBPOPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-3-5-6-7-8-9-10-11-12-18-15(20)13(4-2)14(19)17-16(18)21/h20H,3-12H2,1-2H3,(H,17,19,21).
What are the key properties of 1-decyl-5-ethyl-6-hydroxypyrimidine-2,4-dione?
1-decyl-5-ethyl-6-hydroxypyrimidine-2,4-dione has a molecular weight of 296.41 g/mol, XLogP of 2.95, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-decyl-5-ethyl-6-hydroxypyrimidine-2,4-dione is sourced from PubChem (CID 115948792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).